SCHEMBL6818405

SCHEMBL6818405

CNS(=O)(=O)c1cc2c(C(=O)Nc3ccc(C#N)cc3C(=O)O)noc2cc1-c1ccccc1NC(C)=O

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALB P02768 2/20 0.37
BRD4 O60885 1/20 0.35
HIF1A Q16665 4/20 0.34
MCL1 Q07820 2/20 0.34
KDM4E B2RXH2 1/20 0.33
HSD17B10 Q99714 1/20 0.33
THRB P10828 1/20 0.33
KMT2A Q03164 1/20 0.33
PYGL P06737 1/20 0.33
PYGM P11217 1/20 0.33
TBXA2R P21731 2/20 0.33
PDE10A Q9Y233 1/20 0.32
CDK2 P24941 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) ALBBRD4HIF1AMCL1KMT2A
SCHEMBL6819285 0.90 ALB (0.40) ALBBRD4HIF1AMCL1CDK2
SCHEMBL6821951 0.88 HIF1A (0.43) ALBHIF1AKDM4EHSD17B10KMT2A
SCHEMBL6818675 0.87 HIF1A (0.39) ALBHIF1AKDM4EHSD17B10THRB
SCHEMBL6813714 0.87 HIF1A (0.37) ALBHIF1AKDM4EHSD17B10THRB
SCHEMBL6817887 0.86 HIF1A (0.37) ALBHIF1AKDM4EHSD17B10THRB
SCHEMBL6818761 0.85 ALB (0.39) ALBBRD4HIF1AMCL1PYGL
SCHEMBL6818975 0.84 PPARG (0.38) ALBBRD4PDE10A
SCHEMBL6818297 0.84 HIF1A (0.45) ALBHIF1AKDM4EKMT2A
SCHEMBL6818817 0.84 HIF1A (0.35) ALBHIF1AKDM4EHSD17B10THRB

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