SCHEMBL6821670

SCHEMBL6821670

CCNS(=O)(=O)c1cc2c(C(=O)Nc3ccc(C#N)cc3C(=O)O)noc2cc1-c1ccccc1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.41
TSHR P16473 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
ALB P02768 2/20 0.37
NR3C2 P08235 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
TP53 P04637 2/20 0.35
HTT P42858 1/20 0.35
GUSB P08236 2/20 0.35
LRRK2 Q5S007 1/20 0.35
ALDH1A1 P00352 2/20 0.35
HSD17B10 Q99714 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
GAA P10253 1/20 0.35
CYP2C9 P11712 1/20 0.35
TRPM4 Q8TD43 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
SCHEMBL6821951 0.92 HIF1A (0.43) HIF1ATSHRNPSR1ALBNR3C2
SCHEMBL6822331 0.90 BRD4 (0.39) HIF1AALBRXFP1LRRK2ALDH1A1
SCHEMBL6819061 0.89 ALB (0.38) HIF1AALBALDH1A1KDM4EMEN1
SCHEMBL6817683 0.85 HIF1A (0.44) HIF1ATSHRNPSR1ALBRXFP1
SCHEMBL6817479 0.85 ALB (0.37) HIF1AALBNR3C2LRRK2BRD4
SCHEMBL6817796 0.84 PPARG (0.37) ALBNR3C2LRRK2ALDH1A1BRD4
SCHEMBL6818178 0.84 HIF1A (0.43) HIF1ATSHRNPSR1ALBRXFP1
SCHEMBL6818399 0.84 HIF1A (0.46) HIF1ATSHRNPSR1ALBTP53
SCHEMBL6822443 0.84 HIF1A (0.46) HIF1ATSHRNPSR1ALBTP53
SCHEMBL6822476 0.82 HIF1A (0.44) HIF1ATSHRNPSR1ALBTP53

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