SCHEMBL7065745

SCHEMBL7065745

CC(=O)N(C)c1ccc(-c2cc3c(C(=O)Nc4ccc(C#N)cc4C(=O)O)noc3cc2C(N)=O)c(C(F)(F)F)c1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ITK Q08881 1/20 0.32
ALB P02768 2/20 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
SCHEMBL6818936 0.98 ITK (0.32) ITKALB
SCHEMBL6821693 0.93 PDE10A (0.34) ALB
SCHEMBL6817342 0.91 ALB (0.32) ALB
SCHEMBL6818476 0.91 GHSR (0.33) ALB
SCHEMBL6818244 0.91 PDE10A (0.34) ALB
SCHEMBL7066829 0.91 ALB (0.32) ALB
SCHEMBL6819494 0.91 ALB (0.33) ITKALB
SCHEMBL6818132 0.90 GHSR (0.32) ALB
SCHEMBL6819209 0.90 HIF1A (0.34) ITKALB
SCHEMBL6818876 0.89 ALB (0.32) ALB

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