Compound 6
Smiles:
COC(=O)c1cc(nc2n1nc(c2)c1ccccc1)c1ccc2c(c1)OCO2
Current docking status:
Idle
Top 100 Predicted Targets
| Gene |
Pdb |
Chain |
Pocket |
Score |
| TOP1 |
1RR8 |
C |
0 |
-12.70526 |
| GNAI1 |
3UMS |
A |
1 |
-12.56433 |
| NR1H3 |
3IPU |
A |
0 |
-11.97443 |
| CYP1A1 |
4I8V |
A |
0 |
-11.795760000000001 |
| NNMT |
2IIP |
A |
0 |
-11.77811 |
| TOP1 |
1SC7 |
A |
0 |
-11.74535 |
| HINT1 |
3TW2 |
A |
0 |
-11.667869999999999 |
| AKT1 |
4EJN |
A |
0 |
-11.65874 |
| ALB |
1N5U |
A |
2 |
-11.62723 |
| KDM1A |
2IW5 |
A |
0 |
-11.56758 |
| B2M |
4IIQ |
C |
1 |
-11.55103 |
| TNKS2 |
4HYF |
A |
0 |
-11.50758 |
| ALB |
1N5U |
A |
1 |
-11.48258 |
| DLD |
1ZMC |
D |
0 |
-11.47053 |
| SULT1A3 |
2A3R |
A |
0 |
-11.365680000000001 |
| PYGL |
1FA9 |
A |
0 |
-11.33468 |
| AKR1C2 |
1XJB |
A |
0 |
-11.28374 |
| C5 |
4A5W |
A |
1 |
-11.27035 |
| CAT |
1DGH |
C |
1 |
-11.25811 |
| TOP1 |
1SEU |
A |
0 |
-11.2386 |
| NOS3 |
3EAH |
B |
0 |
-11.21707 |
| ECI1 |
1SG4 |
B |
0 |
-11.14302 |
| TYK2 |
4PO6 |
A |
0 |
-11.14015 |
| CDK1 |
4Y72 |
A |
0 |
-11.118160000000001 |
| RARB |
4DM8 |
B |
1 |
-11.11229 |
| SMYD3 |
3PDN |
A |
0 |
-11.064810000000001 |
| WARS |
1R6T |
A |
0 |
-11.055860000000001 |
| RAB5A |
1N6O |
A |
1 |
-11.0281 |
| NAMPT |
4KFN |
A |
0 |
-11.01218 |
| NOS3 |
4D1O |
A |
0 |
-10.98957 |
| PARP1 |
1UK0 |
A |
0 |
-10.97925 |
| TGFBR1 |
3HMM |
A |
0 |
-10.957460000000001 |
| CHEK2 |
2YCF |
A |
1 |
-10.945839999999999 |
| NR1H2 |
4NQA |
I |
0 |
-10.94267 |
| BTK |
4Z3V |
A |
0 |
-10.942160000000001 |
| C5 |
3PVM |
A |
1 |
-10.936539999999999 |
| TYK2 |
4WOV |
A |
0 |
-10.93649 |
| MAPK3 |
4QTB |
A |
0 |
-10.93467 |
| PARP2 |
3KCZ |
A |
0 |
-10.933769999999999 |
| GMDS |
1T2A |
A |
0 |
-10.93258 |
| GNAI1 |
4G5Q |
D |
0 |
-10.92492 |
| MAP4K4 |
4U43 |
A |
0 |
-10.90105 |
| NAA50 |
2OB0 |
C |
0 |
-10.87988 |
| PARP1 |
4ZZZ |
A |
0 |
-10.87745 |
| WARS |
1ULH |
B |
0 |
-10.87261 |
| SERPINA5 |
3DY0 |
A |
0 |
-10.87218 |
| PDXP |
2CFT |
A |
0 |
-10.85577 |
| GSR |
3DJJ |
A |
0 |
-10.85014 |
| NT5E |
4H2I |
A |
0 |
-10.82105 |
| WARS |
1R6U |
A |
0 |
-10.81515 |
| DHRS4 |
3O4R |
A |
0 |
-10.8034 |
| NMT1 |
3IU1 |
B |
0 |
-10.80251 |
| GSS |
2HGS |
A |
0 |
-10.773760000000001 |
| RAN |
4HAT |
A |
0 |
-10.75934 |
| EPRS |
4HVC |
B |
0 |
-10.737039999999999 |
| PCSK9 |
2P4E |
A |
0 |
-10.72763 |
| KARS |
3BJU |
A |
0 |
-10.7032 |
| PLK1 |
2RKU |
A |
0 |
-10.68859 |
| CXCR4 |
3OE6 |
A |
0 |
-10.674380000000001 |
| GGT1 |
4GDX |
B |
0 |
-10.64268 |
| MAT2B |
2YDX |
A |
0 |
-10.64054 |
| CLK1 |
1Z57 |
A |
0 |
-10.637 |
| PFKFB3 |
2AXN |
A |
1 |
-10.635069999999999 |
| CDK16 |
3MTL |
A |
0 |
-10.62807 |
| STK10 |
5AJQ |
A |
0 |
-10.626510000000001 |
| DAPK1 |
2W4K |
A |
0 |
-10.62004 |
| ACVR1 |
4C02 |
A |
0 |
-10.59183 |
| PRKACA |
4WB7 |
A |
0 |
-10.591289999999999 |
| MAP3K8 |
4Y85 |
A |
0 |
-10.5719 |
| ALB |
1N5U |
A |
4 |
-10.5711 |
| MGLL |
3PE6 |
A |
0 |
-10.56922 |
| KIF11 |
4BXN |
A |
0 |
-10.56166 |
| WEE1 |
1X8B |
A |
0 |
-10.5513 |
| ITGA4 |
4IRZ |
A |
0 |
-10.54883 |
| KDM4C |
4XDO |
A |
0 |
-10.54769 |
| RARB |
4DM6 |
A |
0 |
-10.5465 |
| MUT |
2XIQ |
A |
0 |
-10.54645 |
| KEAP1 |
3VNG |
A |
0 |
-10.540460000000001 |
| NR1H3 |
3IPQ |
A |
0 |
-10.53805 |
| HSPA2 |
3I33 |
A |
0 |
-10.5287 |
| CA12 |
4HT2 |
A |
0 |
-10.52647 |
| RUVBL1 |
2C9O |
A |
1 |
-10.51945 |
| TLR2 |
1FYW |
A |
0 |
-10.51487 |
| TEAD2 |
3L15 |
B |
0 |
-10.50402 |
| P2RY12 |
4NTJ |
A |
0 |
-10.49147 |
| LIG3 |
3L2P |
A |
0 |
-10.48602 |
| MAP2K1 |
3W8Q |
A |
0 |
-10.47712 |
| TOP2A |
1ZXM |
B |
1 |
-10.462769999999999 |
| EPHX2 |
5AI0 |
A |
0 |
-10.44758 |
| DNMT3A |
4U7P |
A |
0 |
-10.442260000000001 |
| HSD17B4 |
1IKT |
A |
0 |
-10.43136 |
| PPARG |
3E00 |
D |
0 |
-10.430719999999999 |
| JAK2 |
4FVQ |
A |
0 |
-10.40853 |
| UGDH |
2Q3E |
A |
0 |
-10.39674 |
| SULT2B1 |
1Q20 |
A |
0 |
-10.38523 |
| MMP2 |
1CK7 |
A |
0 |
-10.375060000000001 |
| VDR |
3AZ3 |
A |
0 |
-10.37469 |
| TYK2 |
4PO6 |
A |
1 |
-10.37049 |
| SGK1 |
2R5T |
A |
0 |
-10.36636 |
| RAB7A |
1T91 |
A |
0 |
-10.3452 |
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