Compound 34
Smiles:
O=C(c1cccc(c1)OCc1c(C)noc1C)NNC(=O)c1ccc2c(n1)cccc2
Current docking status:
Idle
Top 100 Predicted Targets
| Gene |
Pdb |
Chain |
Pocket |
Score |
| CYP1A1 |
4I8V |
A |
0 |
-12.6655 |
| MGLL |
3PE6 |
A |
0 |
-12.354569999999999 |
| DHRS4 |
3O4R |
A |
0 |
-12.268310000000001 |
| RXRA |
4NQA |
H |
0 |
-12.14967 |
| NR1H2 |
4NQA |
I |
0 |
-12.12725 |
| VDR |
1IE9 |
A |
0 |
-12.11968 |
| NR1H2 |
4NQA |
B |
0 |
-12.11055 |
| B2M |
4IIQ |
C |
1 |
-12.090819999999999 |
| ALB |
1N5U |
A |
1 |
-12.069469999999999 |
| HINT1 |
3TW2 |
A |
0 |
-12.06447 |
| TOP1 |
1RR8 |
C |
0 |
-12.06445 |
| RARB |
4DM6 |
A |
0 |
-12.0541 |
| ALB |
1N5U |
A |
4 |
-12.03472 |
| TOP1 |
1SEU |
A |
0 |
-12.03387 |
| LTA4H |
1HS6 |
A |
0 |
-12.033719999999999 |
| CAT |
1DGH |
C |
1 |
-11.94375 |
| TXNRD1 |
3QFB |
A |
0 |
-11.94218 |
| HPRT1 |
1BZY |
A |
0 |
-11.938139999999999 |
| KDM5B |
5A3N |
A |
0 |
-11.93019 |
| VDR |
3AZ3 |
A |
0 |
-11.9279 |
| AKT1 |
4EJN |
A |
0 |
-11.92147 |
| NMT1 |
3IU1 |
B |
0 |
-11.860289999999999 |
| AKR1C2 |
1XJB |
A |
0 |
-11.81354 |
| WARS |
1R6U |
A |
0 |
-11.7992 |
| WARS |
1ULH |
B |
0 |
-11.76416 |
| CLK1 |
1Z57 |
A |
0 |
-11.76276 |
| KDM4B |
4LXL |
A |
0 |
-11.75614 |
| WARS |
1R6T |
A |
0 |
-11.75388 |
| ACADS |
2VIG |
E |
0 |
-11.732380000000001 |
| MAPK3 |
4QTB |
A |
0 |
-11.72405 |
| SPR |
1Z6Z |
A |
0 |
-11.621369999999999 |
| CDK1 |
4Y72 |
A |
0 |
-11.59328 |
| GNPDA1 |
1NE7 |
A |
0 |
-11.57822 |
| MUT |
2XIQ |
A |
0 |
-11.56891 |
| SERPINA5 |
3DY0 |
A |
0 |
-11.554 |
| HPGD |
2GDZ |
A |
0 |
-11.55069 |
| KDM4C |
4XDO |
A |
0 |
-11.54677 |
| TGFBR1 |
3HMM |
A |
0 |
-11.54522 |
| TNKS2 |
4HYF |
A |
0 |
-11.51695 |
| TYK2 |
4PO6 |
A |
0 |
-11.4852 |
| NR1H3 |
3IPQ |
A |
0 |
-11.467989999999999 |
| PARP1 |
1UK0 |
A |
0 |
-11.46454 |
| PDPK1 |
3QC4 |
B |
0 |
-11.4525 |
| ACAD8 |
1RX0 |
A |
0 |
-11.44323 |
| GYG1 |
3T7M |
A |
0 |
-11.420760000000001 |
| GGT1 |
4GDX |
B |
0 |
-11.414010000000001 |
| CASK |
3MFR |
A |
0 |
-11.40995 |
| KDM1A |
2IW5 |
A |
0 |
-11.40445 |
| NR1H3 |
3IPU |
A |
0 |
-11.398019999999999 |
| SERPINB2 |
2ARQ |
A |
0 |
-11.39787 |
| UGDH |
2Q3E |
A |
0 |
-11.33661 |
| TOP1 |
1SC7 |
A |
0 |
-11.32625 |
| CHEK2 |
2YCF |
A |
1 |
-11.30715 |
| ACADSB |
2JIF |
A |
0 |
-11.288680000000001 |
| MAT2B |
4KTV |
E |
0 |
-11.2722 |
| IL1R2 |
3O4O |
C |
1 |
-11.26825 |
| DDAH1 |
2JAJ |
B |
0 |
-11.26755 |
| ERBB3 |
3KEX |
A |
0 |
-11.26256 |
| CSNK2A1 |
3AT2 |
A |
0 |
-11.26158 |
| PYGL |
3DDS |
A |
0 |
-11.25982 |
| PFKFB3 |
2AXN |
A |
1 |
-11.258460000000001 |
| PARP10 |
3HKV |
A |
0 |
-11.24974 |
| CTBP2 |
2OME |
A |
0 |
-11.22993 |
| LDLR |
1IJQ |
A |
0 |
-11.22127 |
| NT5C2 |
2XCW |
A |
1 |
-11.20539 |
| GGPS1 |
2Q80 |
A |
0 |
-11.20272 |
| NR1H4 |
3OKI |
A |
0 |
-11.19299 |
| FYN |
2DQ7 |
X |
0 |
-11.18595 |
| PIM2 |
2IWI |
B |
0 |
-11.18517 |
| TH |
2XSN |
D |
0 |
-11.18253 |
| NOS3 |
4D1O |
A |
0 |
-11.18163 |
| NAA50 |
2OB0 |
C |
0 |
-11.16654 |
| PROCR |
1LQV |
B |
0 |
-11.155669999999999 |
| CSNK2A2 |
3OFM |
A |
0 |
-11.1286 |
| RAMP1 |
4RWG |
B |
0 |
-11.11825 |
| CBR1 |
1WMA |
A |
0 |
-11.11508 |
| NOS3 |
3EAH |
B |
0 |
-11.10933 |
| ADRB2 |
4GBR |
A |
0 |
-11.10513 |
| NR1H2 |
4RAK |
A |
0 |
-11.10138 |
| PARP1 |
4ZZZ |
A |
0 |
-11.075610000000001 |
| ACVR1 |
3H9R |
A |
0 |
-11.067730000000001 |
| EPRS |
4HVC |
B |
0 |
-11.05605 |
| RARB |
4DM8 |
B |
1 |
-11.053410000000001 |
| KARS |
3BJU |
A |
0 |
-11.04683 |
| AP1B1 |
4HMY |
B |
0 |
-11.0465 |
| SULT1A3 |
2A3R |
A |
0 |
-11.04605 |
| PARP2 |
3KCZ |
A |
0 |
-11.043289999999999 |
| EP300 |
4PZS |
A |
0 |
-11.041730000000001 |
| GCDH |
1SIQ |
A |
0 |
-11.02813 |
| HNMT |
2AOT |
A |
0 |
-11.02737 |
| ERO1L |
3AHR |
A |
1 |
-11.022089999999999 |
| P2RY12 |
4NTJ |
A |
0 |
-11.00723 |
| DNMT1 |
3SWR |
A |
0 |
-11.00578 |
| RXRA |
2ACL |
C |
0 |
-11.00507 |
| SIRT1 |
4KXQ |
A |
0 |
-11.002460000000001 |
| AIM2 |
3VD8 |
A |
0 |
-10.99965 |
| NNMT |
2IIP |
A |
0 |
-10.99438 |
| DCXR |
1PR9 |
A |
0 |
-10.99305 |
| PIM1 |
3F2A |
A |
0 |
-10.991719999999999 |
| SERPINC1 |
3KCG |
I |
0 |
-10.9901 |
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