SCHEMBL6817520

SCHEMBL6817520

COc1ccccc1-c1cc2onc(C(=O)Nc3ccc(C#N)cc3C(=O)O)c2cc1N(C)C(C)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 4/20 0.43
TSHR P16473 3/20 0.37
TP53 P04637 1/20 0.37
HTT P42858 1/20 0.37
ALDH1A1 P00352 4/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ALB P02768 1/20 0.35
DHODH Q02127 2/20 0.35
MAPT P10636 2/20 0.35
LRRK2 Q5S007 1/20 0.35
KDM4E B2RXH2 2/20 0.35
GPR35 Q9HC97 1/20 0.34
POLB P06746 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL6818674 0.90 ALB (0.35) HIF1AALDH1A1ALBMAPTLRRK2
SCHEMBL6818327 0.88 ALB (0.34) HIF1AHTTALBMAPTLRRK2
SCHEMBL6822443 0.87 HIF1A (0.46) HIF1ATSHRTP53HTTALDH1A1
SCHEMBL6818399 0.87 HIF1A (0.46) HIF1ATSHRTP53HTTALDH1A1
SCHEMBL6822476 0.84 HIF1A (0.44) HIF1ATSHRTP53HTTALDH1A1
SCHEMBL6817683 0.84 HIF1A (0.44) HIF1ATSHRTP53HTTALDH1A1
SCHEMBL6821811 0.84 ALB (0.34) HIF1ATP53ALDH1A1ALBMAPT
SCHEMBL6818631 0.84 HIF1A (0.38) HIF1ATP53ALDH1A1NPC1ALB
SCHEMBL6821951 0.83 HIF1A (0.43) HIF1ATSHRTP53HTTALDH1A1
SCHEMBL6818178 0.83 HIF1A (0.43) HIF1ATSHRTP53HTTALDH1A1

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