SCHEMBL6819285

SCHEMBL6819285

CNS(=O)(=O)c1cc2c(C(=O)Nc3ccc(C#N)cc3C(=O)O)noc2cc1-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALB P02768 2/20 0.40
BRD4 O60885 1/20 0.37
HIF1A Q16665 4/20 0.37
GSK3A P49840 2/20 0.36
GSK3B P49841 2/20 0.36
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
MCL1 Q07820 2/20 0.35
PRSS12 P56730 1/20 0.35
SERPINE1 P05121 1/20 0.34
CDK2 P24941 1/20 0.34
KAT6A Q92794 2/20 0.34
ACLY P53396 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
SCHEMBL6818761 0.93 ALB (0.39) ALBBRD4HIF1AGSK3AGSK3B
SCHEMBL6818975 0.93 PPARG (0.38) ALBBRD4GSK3AGSK3B
SCHEMBL6819061 0.91 ALB (0.38) ALBBRD4HIF1AGSK3AGSK3B
SCHEMBL6821747 0.91 BRD4 (0.39) ALBBRD4HIF1AGSK3AGSK3B
SCHEMBL6818174 0.90 STING1 (0.39) ALBBRD4GSK3AGSK3BPOLB
SCHEMBL6818405 0.90 ALB (0.37) ALBBRD4HIF1AMCL1CDK2
SCHEMBL6821951 0.89 HIF1A (0.43) ALBHIF1AALDH1A1POLB
SCHEMBL6819032 0.87 ALB (0.40) ALBBRD4HIF1AGSK3AGSK3B
SCHEMBL6817479 0.85 ALB (0.37) ALBBRD4HIF1AGSK3AGSK3B
SCHEMBL6817796 0.84 PPARG (0.37) ALBBRD4GSK3AGSK3BALDH1A1

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