Compound 16


Smiles:

O=c1[nH]c(=S)n(c2c1[nH]cn2)C[C@H]1CCCO1

Current docking status:

Idle

Top 100 Predicted Targets

(takes longer)

Gene Pdb Chain Pocket Score
TOP1 1RR8 C 0 -8.90543
HSPA1A 3AY9 A 0 -8.720089999999999
HSPA2 3I33 A 0 -8.68242
HPRT1 1BZY A 0 -8.58032
NT5C2 2XCW A 1 -8.45399
SULT1A3 2A3R A 0 -8.3985
TGFBR1 2WOT A 2 -8.36525
CCNB1 4Y72 B 0 -8.29381
SULT2B1 1Q20 A 0 -8.27868
TF 3QYT A 0 -8.25833
POLG 3IKM D 3 -8.256310000000001
CBS 4COO A 0 -8.23837
CFD 2XW9 A 0 -8.18828
GGT1 4GDX B 0 -8.15155
SMYD3 3PDN A 0 -8.134910000000001
TF 1FQE A 0 -8.10342
GCDH 1SIQ A 0 -8.09346
ARG2 4HZE A 0 -8.087760000000001
KDM5B 5A3N A 1 -8.07765
ERO1L 3AHR A 1 -8.07305
GNPDA1 1NE7 A 0 -8.06842
ACADSB 2JIF A 0 -8.06263
TOP2A 1ZXN C 0 -8.04786
TOP1 1SEU A 0 -8.02934
TH 2XSN D 0 -8.01815
TOP1 1SC7 A 0 -7.9881
KDM4C 4XDO A 0 -7.98332
KDM4B 4LXL A 0 -7.973610000000001
TOP2A 1ZXM B 0 -7.9596
KDM5B 5A3N A 0 -7.957330000000001
ACADS 2VIG E 0 -7.94861
LDLR 1IJQ A 0 -7.94048
POLG 3IKM D 1 -7.93082
VDR 3AZ3 A 0 -7.9199600000000006
CDK6 1XO2 B 0 -7.916010000000001
AR 1T65 A 0 -7.87598
OXCT1 3DLX A 2 -7.868469999999999
CCNB1 2B9R B 0 -7.864319999999999
VDAC1 2JK4 A 1 -7.85805
GMDS 1T2A A 0 -7.834289999999999
CAT 1DGH C 1 -7.81347
NNMT 2IIP A 0 -7.80905
MAP3K8 4Y85 A 0 -7.802969999999999
RAD1 3GGR C 1 -7.8005
CDK4 2W99 B 0 -7.7921
SIRT1 4KXQ A 0 -7.79023
GYG1 3T7M A 0 -7.768439999999999
CDK2 4GCJ A 0 -7.76721
IDE 3CWW A 1 -7.766189999999999
CFB 1DLE A 0 -7.75553
WARS 1R6U A 0 -7.73715
ADRB2 3PDS A 0 -7.73265
ALDH5A1 2W8N A 0 -7.73077
MUT 2XIQ A 0 -7.71784
GSS 2HGS A 0 -7.704969999999999
ACAD8 1RX0 A 0 -7.70308
PFKFB3 2AXN A 1 -7.70193
DLD 1ZMC D 0 -7.69964
HMGCS2 2WYA A 0 -7.699339999999999
SEC24D 3EFO B 0 -7.697780000000001
KEAP1 1U6D X 0 -7.68635
EPRS 4HVC B 0 -7.68544
ETFB 1EFV B 0 -7.685110000000001
TGFBR1 3HMM A 1 -7.679130000000001
CDK1 4Y72 A 0 -7.665780000000001
AKR7A2 2BP1 A 0 -7.66493
PCSK9 3P5C A 1 -7.65155
WARS 1R6T A 0 -7.64755
PAH 2PAH A 0 -7.64659
PDXP 2CFT A 0 -7.64407
GNAI1 3UMS A 1 -7.64317
CHEK2 2YCF A 1 -7.63762
ASS1 2NZ2 A 0 -7.632110000000001
B2M 4IIQ C 1 -7.631130000000001
BCAT2 1KT8 B 1 -7.630610000000001
LDLR 1N7D A 0 -7.63058
POLG 3IKM D 4 -7.62945
GFPT1 2ZJ3 A 0 -7.62825
CTBP2 2OME A 0 -7.625210000000001
TK1 1W4R A 0 -7.622839999999999
NR1H3 3IPQ A 0 -7.6226199999999995
P2RY12 4PXZ A 1 -7.6186300000000005
TGFBR1 2WOT A 0 -7.616169999999999
KDM1A 2IW5 A 0 -7.61596
PYGL 3DDS A 4 -7.614789999999999
NAA50 2OB0 C 0 -7.61298
NT5E 4H2I A 0 -7.61172
KEAP1 3VNG A 0 -7.605460000000001
MAT2B 4KTV E 0 -7.603289999999999
AIFM1 4LII A 0 -7.596010000000001
PTPRG 2NLK A 0 -7.59555
AKR1C2 1XJB A 0 -7.595280000000001
ESR1 3ERT A 1 -7.589739999999999
DNM1 3ZYC D 0 -7.589639999999999
CA12 4HT2 A 0 -7.58812
PRKACA 4WB7 A 0 -7.586930000000001
PCSK9 2P4E A 0 -7.58505
HPGD 2GDZ A 0 -7.5838399999999995
SARS 4L87 A 0 -7.583289999999999
GSR 3DJJ A 0 -7.57953