Compound 39


Smiles:

Fc1ccc(cc1)C(c1ccc(cc1)F)N1CCN(CC1)C/C=C/c1ccccc1

Current docking status:

Idle

Top 100 Predicted Targets

(takes longer)

Gene Pdb Chain Pocket Score
ALB 1N5U A 1 -12.1116
TNKS2 4HYF A 0 -11.86935
CYP1A1 4I8V A 0 -11.76373
ALB 1N5U A 2 -11.583260000000001
HPRT1 1BZY A 0 -11.56962
NR1H3 3IPQ A 0 -11.49112
NR1H2 4NQA B 0 -11.46515
NMT1 3IU1 B 0 -11.46022
TYK2 4PO6 A 0 -11.37824
AKR1C2 1XJB A 0 -11.3308
RXRA 2ACL C 0 -11.31892
BCL2L1 3SP7 A 0 -11.316510000000001
PARP1 4ZZZ A 0 -11.2861
GCK 4DCH A 1 -11.2755
HNMT 2AOT A 0 -11.259960000000001
CA12 4HT2 A 0 -11.251660000000001
RXRA 4NQA H 0 -11.24853
TLR2 2Z7X A 0 -11.173680000000001
PARP1 1UK0 A 0 -11.16353
NR1H2 4NQA I 0 -11.129380000000001
ADRB2 4GBR A 0 -11.092419999999999
NOS3 4D1O A 0 -11.08055
NR1H4 4OIV B 0 -11.0631
SERPINA5 3DY0 A 0 -11.03112
AKT1 4EJN A 0 -10.976939999999999
LTA4H 1HS6 A 0 -10.96288
ERBB2 3PP0 B 0 -10.96097
NR1H4 3OKI A 0 -10.95878
PITPNA 1UW5 A 0 -10.9546
ECI1 1SG4 B 0 -10.91858
PARP2 3KCZ A 0 -10.897639999999999
DHRS4 3O4R A 0 -10.89387
NOS3 3EAH B 0 -10.89141
SMYD3 3PDN A 0 -10.88739
MAPK3 4QTB A 0 -10.85803
MAPK14 1YQJ A 0 -10.85183
ALB 1N5U A 4 -10.839310000000001
PDPK1 3QC4 B 0 -10.8101
PAH 1MMK A 0 -10.80365
SIRT1 4KXQ A 0 -10.79927
MGLL 3PE6 A 0 -10.77629
TH 2XSN D 0 -10.74698
NR1H2 4RAK A 0 -10.72754
CLK1 1Z57 A 0 -10.72472
NR1D2 4N73 A 0 -10.72214
AP1B1 4HMY B 0 -10.70698
CDK1 4Y72 A 0 -10.700280000000001
CAT 1DGH C 1 -10.6992
ITGAV 3IJE A 0 -10.69839
AIFM1 4LII A 0 -10.69068
CASK 3MFR A 0 -10.68528
SULT1A3 2A3R A 0 -10.66442
NR5A2 4RWV A 0 -10.65934
AKR1B1 3RX2 A 0 -10.651810000000001
RARB 4DM8 B 1 -10.651489999999999
TGFBR1 2WOT A 0 -10.64968
AIM2 3VD8 A 0 -10.625589999999999
SERPINA5 3DY0 A 1 -10.62547
TRAP1 4Z1F A 0 -10.592839999999999
EPRS 4HVC B 0 -10.5879
MAPK8 4QTD A 0 -10.58104
GNPDA1 1NE7 A 0 -10.579830000000001
PRCP 3N2Z B 0 -10.57692
NTRK1 4PMM A 0 -10.569180000000001
HINT1 3TW2 A 0 -10.56038
ULK1 5CI7 A 0 -10.55765
VDR 3AZ3 A 0 -10.55256
PYGL 1FA9 A 0 -10.54159
KIF11 4BXN A 0 -10.53867
ALDH1A1 4WP7 A 0 -10.53053
WARS 1R6U A 0 -10.53022
POLQ 5AGA A 2 -10.51794
KDM5B 5A3N A 0 -10.51188
HPGD 2GDZ A 0 -10.51104
PDE4D 3G58 D 0 -10.50255
MUT 2XIQ A 0 -10.49483
TGFBR1 3HMM A 0 -10.49105
ESR1 2IOK B 0 -10.489939999999999
GM2A 1PU5 A 0 -10.47907
LIG3 3L2P A 0 -10.470289999999999
PLK4 4JXF A 0 -10.44955
ITGAV 4G1E A 0 -10.443810000000001
QPCT 4YWY A 0 -10.44311
SLC2A1 4PYP A 0 -10.43528
CAPNS1 4PHJ A 0 -10.43384
FGFR3 4K33 A 0 -10.4325
NT5E 4H2I A 0 -10.42056
MLH1 4P7A A 0 -10.41805
DLD 1ZMC D 0 -10.41642
NR3C1 4P6W A 0 -10.41297
PRKCH 3TXO A 0 -10.40099
KDM1A 2IW5 A 0 -10.38742
CDK6 1G3N A 0 -10.38529
GCDH 1SIQ A 0 -10.38315
NR3C1 3H52 B 0 -10.37701
ROCK2 4WOT B 0 -10.37434
KDR 3EWH A 0 -10.35412
RARG 1EXA A 0 -10.33625
DTYMK 1E2F A 0 -10.32194
RET 4CKJ A 0 -10.32054