SCHEMBL6821747

SCHEMBL6821747

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

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.39
ALB P02768 2/20 0.38
TBXA2R P21731 3/20 0.37
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
LRRK2 Q5S007 1/20 0.35
HIF1A Q16665 3/20 0.33
MCL1 Q07820 2/20 0.33
MAPT P10636 1/20 0.33
PDE10A Q9Y233 1/20 0.33
CDK2 P24941 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
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
SCHEMBL6822331 0.91 BRD4 (0.39) BRD4ALBTBXA2RGSK3AGSK3B
SCHEMBL6822221 0.91 ALB (0.39) BRD4ALBTBXA2RGSK3AGSK3B
SCHEMBL6819285 0.91 ALB (0.40) BRD4ALBGSK3AGSK3BHIF1A
SCHEMBL6818405 0.91 ALB (0.37) BRD4ALBTBXA2RHIF1AMCL1
SCHEMBL6821951 0.90 HIF1A (0.43) ALBLRRK2HIF1AMAPTMEN1
SCHEMBL6818761 0.86 ALB (0.39) BRD4ALBGSK3AGSK3BLRRK2
SCHEMBL6818975 0.86 PPARG (0.38) BRD4ALBGSK3AGSK3BLRRK2
SCHEMBL6818998 0.85 HIF1A (0.39) ALBGSK3AGSK3BLRRK2HIF1A
SCHEMBL6818765 0.85 ALB (0.37) BRD4ALBGSK3AGSK3BLRRK2
SCHEMBL6818174 0.85 STING1 (0.39) BRD4ALBGSK3AGSK3BLRRK2

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