SCHEMBL6819646

SCHEMBL6819646

COc1cc2onc(C(=O)Nc3ccc(C#N)cc3C(=O)O)c2cc1-c1ccccc1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 3/20 0.42
TP53 P04637 3/20 0.38
ALB P02768 2/20 0.37
MAPT P10636 2/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA7 P43166 1/20 0.36
NTRK1 P04629 1/20 0.36
HTT P42858 2/20 0.35
TSHR P16473 1/20 0.35
CA2 P00918 1/20 0.35
CHEK1 O14757 1/20 0.35
PIM1 P11309 1/20 0.35
MAPK8 P45983 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6822476 0.91 HIF1A (0.44) HIF1ATP53ALBMAPTHTT
SCHEMBL6818898 0.90 TP53 (0.36) HIF1ATP53ALBNTRK1HTT
SCHEMBL6818535 0.89 KMT2A (0.39) HIF1ATP53ALBMAPTNTRK1
SCHEMBL6818353 0.89 DHODH (0.37) HIF1ATP53ALBNTRK1HTT
SCHEMBL6817481 0.89 S1PR1 (0.36) HIF1ATP53ALBMAPTCA12
SCHEMBL6818143 0.88 SMN1; SMN2 (0.38) HIF1ATP53ALBMAPTNTRK1
SCHEMBL6818716 0.87 PDE10A (0.36) HIF1ATP53ALBMAPTNTRK1
SCHEMBL6818297 0.87 HIF1A (0.45) HIF1ATP53ALBMAPTCA12
SCHEMBL6819209 0.87 HIF1A (0.34) HIF1ATP53ALBMAPTCA12
SCHEMBL6818271 0.87 DHODH (0.36) HIF1ATP53ALBNTRK1HTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004018428-A1 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO disclosed