SCHEMBL7066829

SCHEMBL7066829

CC(=O)Nc1cc2onc(C(=O)Nc3ccc(C#N)cc3C(=O)O)c2cc1-c1ccc(N(C)C(C)=O)cc1C(F)(F)F

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALB P02768 2/20 0.32
KDM4E B2RXH2 1/20 0.31
HSD17B10 Q99714 1/20 0.31
HIF1A Q16665 1/20 0.30

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
SCHEMBL6818876 0.94 ALB (0.32) ALB
SCHEMBL6821583 0.94 ALB (0.32) ALB
SCHEMBL6818601 0.93 DHODH (0.33) ALB
SCHEMBL6817342 0.92 ALB (0.32) ALBHIF1A
SCHEMBL6819385 0.92 ALB (0.33) ALB
SCHEMBL6817662 0.92 ALB (0.33) ALB
SCHEMBL6819494 0.91 ALB (0.33) ALBHIF1A
SCHEMBL7065745 0.91 ITK (0.32) ALB
SCHEMBL6821693 0.91 PDE10A (0.34) ALB
SCHEMBL6819209 0.90 HIF1A (0.34) ALBHIF1A

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