SCHEMBL6822221

SCHEMBL6822221

Cc1ccccc1-c1cc2onc(C(=O)Nc3ccc(C#N)cc3C(=O)O)c2cc1S(N)(=O)=O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALB P02768 2/20 0.39
BRD4 O60885 1/20 0.38
HIF1A Q16665 6/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
TBXA2R P21731 3/20 0.35
LRRK2 Q5S007 1/20 0.35
F10 P00742 1/20 0.35
CDK2 P24941 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
MAPT P10636 1/20 0.34
MAPK14 Q16539 1/20 0.33

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
SCHEMBL6821747 0.91 BRD4 (0.39) ALBBRD4HIF1AGSK3AGSK3B
SCHEMBL6822331 0.89 BRD4 (0.39) ALBBRD4HIF1AGSK3AGSK3B
SCHEMBL6818295 0.88 ALB (0.36) ALBBRD4HIF1ALRRK2F10
SCHEMBL6819032 0.87 ALB (0.40) ALBBRD4HIF1AGSK3AGSK3B
SCHEMBL6818998 0.86 HIF1A (0.39) ALBHIF1AGSK3AGSK3BLRRK2
SCHEMBL6818765 0.86 ALB (0.37) ALBBRD4HIF1AGSK3AGSK3B
SCHEMBL6833960 0.85 MCL1 (0.43) ALBHIF1AGSK3AGSK3BLRRK2
SCHEMBL6817639 0.85 ALB (0.36) ALBBRD4HIF1AGSK3AGSK3B
SCHEMBL6819169 0.85 ALB (0.40) ALBHIF1AGSK3AGSK3BLRRK2
SCHEMBL6817333 0.85 PPARG (0.39) ALBHIF1AGSK3AGSK3BLRRK2

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