SCHEMBL6822331

SCHEMBL6822331

CCNS(=O)(=O)c1cc2c(C(=O)Nc3ccc(C#N)cc3C(=O)O)noc2cc1-c1ccccc1C

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.39
ALB P02768 2/20 0.37
TBXA2R P21731 3/20 0.36
MAPK14 Q16539 1/20 0.36
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
LRRK2 Q5S007 1/20 0.34
CDK2 P24941 1/20 0.33
RXFP1 Q9HBX9 1/20 0.32
MCL1 Q07820 1/20 0.32
MAPT P10636 1/20 0.32
HIF1A Q16665 1/20 0.32

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) BRD4ALBTBXA2RMAPK14MEN1
SCHEMBL6819061 0.91 ALB (0.38) BRD4ALBMAPK14ALDH1A1KDM4E
SCHEMBL6821670 0.90 HIF1A (0.41) BRD4ALBALDH1A1KDM4EMEN1
SCHEMBL6822221 0.89 ALB (0.39) BRD4ALBTBXA2RMAPK14GSK3A
SCHEMBL6817479 0.87 ALB (0.37) BRD4ALBMAPK14GSK3AGSK3B
SCHEMBL6817796 0.86 PPARG (0.37) BRD4ALBALDH1A1GSK3AGSK3B
SCHEMBL6817656 0.84 MAPK14 (0.36) BRD4ALBMAPK14ALDH1A1GSK3A
SCHEMBL6821640 0.83 MAPK14 (0.36) ALBMAPK14ALDH1A1GSK3AGSK3B
SCHEMBL6818998 0.83 HIF1A (0.39) ALBMAPK14ALDH1A1GSK3AGSK3B
SCHEMBL6818765 0.83 ALB (0.37) BRD4ALBMAPK14ALDH1A1KDM4E

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