Compound 15
Smiles:
O=C([C@H]1C[C@@H]1c1ccc(cc1)C(=O)N)N1CCN(CC1)C1CCC1
Current docking status:
Idle
Top 100 Predicted Targets
| Gene |
Pdb |
Chain |
Pocket |
Score |
| PROCR |
1LQV |
B |
0 |
-11.40312 |
| GNPDA1 |
1NE7 |
A |
0 |
-10.701839999999999 |
| TNKS2 |
4HYF |
A |
0 |
-10.694939999999999 |
| NR1H2 |
4NQA |
I |
0 |
-10.66263 |
| HINT1 |
3TW2 |
A |
0 |
-10.59737 |
| DHRS4 |
3O4R |
A |
0 |
-10.55234 |
| NR1H3 |
3IPQ |
A |
0 |
-10.53635 |
| KDM1A |
2IW5 |
A |
0 |
-10.50254 |
| RARG |
1EXA |
A |
0 |
-10.50168 |
| RARB |
4DM6 |
A |
0 |
-10.47601 |
| KDM4C |
4XDO |
A |
0 |
-10.46906 |
| VDR |
1IE9 |
A |
0 |
-10.451039999999999 |
| PARP1 |
4ZZZ |
A |
0 |
-10.37907 |
| SMYD3 |
3PDN |
A |
0 |
-10.36582 |
| ALB |
1N5U |
A |
4 |
-10.36561 |
| MGLL |
3PE6 |
A |
0 |
-10.350430000000001 |
| B2M |
4IIQ |
C |
1 |
-10.273010000000001 |
| GGPS1 |
2Q80 |
A |
0 |
-10.21402 |
| PARP1 |
1UK0 |
A |
0 |
-10.21232 |
| ERBB4 |
2R4B |
A |
0 |
-10.20237 |
| GYG1 |
3T7M |
A |
0 |
-10.19488 |
| ALB |
1N5U |
A |
1 |
-10.1857 |
| TNIK |
2X7F |
B |
0 |
-10.17404 |
| NTRK1 |
4PMM |
A |
0 |
-10.1604 |
| HPGD |
2GDZ |
A |
0 |
-10.1301 |
| EP300 |
4BHW |
A |
0 |
-10.12306 |
| NR1H4 |
3OKI |
A |
0 |
-10.1191 |
| PDE4D |
3G58 |
D |
0 |
-10.11692 |
| RXRA |
2ACL |
C |
0 |
-10.10099 |
| NR1H3 |
3IPU |
A |
0 |
-10.088560000000001 |
| NT5E |
4H2I |
A |
0 |
-10.08854 |
| RXRA |
4NQA |
H |
0 |
-10.08569 |
| NNMT |
2IIP |
A |
0 |
-10.082469999999999 |
| CAT |
1DGH |
C |
1 |
-10.07206 |
| PAH |
1MMK |
A |
0 |
-10.06476 |
| VDR |
3AZ3 |
A |
0 |
-10.06207 |
| PIM1 |
3F2A |
A |
0 |
-10.03089 |
| KIF11 |
4BXN |
A |
0 |
-10.03046 |
| TRAP1 |
4Z1F |
A |
0 |
-10.00197 |
| NR1H2 |
4NQA |
B |
0 |
-9.98784 |
| NT5C2 |
2XCW |
A |
1 |
-9.98197 |
| CLTC |
2XZG |
A |
0 |
-9.97724 |
| TH |
2XSN |
D |
0 |
-9.95743 |
| HNMT |
2AOT |
A |
0 |
-9.92218 |
| IL1R2 |
3O4O |
C |
1 |
-9.903310000000001 |
| AP1B1 |
4HMY |
B |
0 |
-9.89546 |
| ACAD8 |
1RX0 |
A |
0 |
-9.89508 |
| GMDS |
1T2A |
A |
0 |
-9.8937 |
| RARB |
4DM8 |
B |
1 |
-9.89143 |
| HPRT1 |
1BZY |
A |
0 |
-9.88825 |
| ERBB2 |
3PP0 |
B |
0 |
-9.88067 |
| HSPA1A |
3AY9 |
A |
0 |
-9.8584 |
| RXRA |
1MZN |
A |
0 |
-9.8564 |
| PARP2 |
3KCZ |
A |
0 |
-9.81741 |
| TXNRD1 |
3QFB |
A |
0 |
-9.81675 |
| ADA |
3IAR |
A |
0 |
-9.80873 |
| PIM2 |
2IWI |
B |
0 |
-9.80764 |
| CYP1A1 |
4I8V |
A |
0 |
-9.79809 |
| PARP1 |
4OPX |
A |
0 |
-9.78169 |
| DTYMK |
1E2F |
A |
0 |
-9.78135 |
| TOP2A |
1ZXN |
C |
0 |
-9.77455 |
| EP300 |
4PZS |
A |
0 |
-9.76701 |
| TYK2 |
4PO6 |
A |
0 |
-9.756839999999999 |
| FFAR1 |
4PHU |
A |
1 |
-9.73979 |
| GSR |
3DJJ |
A |
0 |
-9.723939999999999 |
| HSD17B10 |
1U7T |
A |
0 |
-9.717839999999999 |
| CCNB1 |
4Y72 |
B |
0 |
-9.69933 |
| GALE |
1I3K |
A |
0 |
-9.69928 |
| CAT |
1DGH |
C |
0 |
-9.67746 |
| AKT1 |
4EJN |
A |
0 |
-9.66212 |
| SERPINA5 |
3DY0 |
A |
0 |
-9.65504 |
| NMT1 |
3IU1 |
B |
0 |
-9.64964 |
| MYO10 |
3AU4 |
A |
0 |
-9.644739999999999 |
| MAP2K1 |
3SLS |
B |
0 |
-9.64401 |
| ORM1 |
3KQ0 |
A |
0 |
-9.63645 |
| DNMT1 |
3SWR |
A |
1 |
-9.63382 |
| AIM2 |
3VD8 |
A |
0 |
-9.62801 |
| CHEK2 |
2YCF |
A |
1 |
-9.625919999999999 |
| CBR1 |
1WMA |
A |
0 |
-9.62549 |
| NR1H4 |
4OIV |
B |
0 |
-9.60943 |
| MAPK8 |
4QTD |
A |
0 |
-9.60397 |
| SERPINB2 |
2ARQ |
A |
0 |
-9.599039999999999 |
| ALDH7A1 |
4ZUK |
A |
0 |
-9.58582 |
| BRAF |
4H58 |
C |
0 |
-9.57508 |
| ACVR1 |
4C02 |
A |
0 |
-9.573789999999999 |
| SULT2B1 |
1Q20 |
A |
0 |
-9.57328 |
| PDE4D |
1OYN |
A |
0 |
-9.56418 |
| AKR1C2 |
1XJB |
A |
0 |
-9.5616 |
| WEE1 |
1X8B |
A |
0 |
-9.55054 |
| RXRA |
4J5X |
D |
1 |
-9.54373 |
| CANT1 |
1S18 |
A |
0 |
-9.53694 |
| PIP4K2B |
1BO1 |
A |
0 |
-9.53607 |
| MUT |
2XIQ |
A |
0 |
-9.52303 |
| TKT |
4KXV |
A |
1 |
-9.51908 |
| SULT1A3 |
2A3R |
A |
0 |
-9.51711 |
| PHKG2 |
2Y7J |
A |
0 |
-9.51512 |
| ABL1 |
2G2H |
A |
0 |
-9.50995 |
| FGFR1 |
4WUN |
A |
0 |
-9.507 |
| ADAM17 |
2OI0 |
A |
0 |
-9.49902 |
| AIFM1 |
4LII |
A |
0 |
-9.49863 |
DrugQuery