SCHEMBL7067494

SCHEMBL7067494

CCC(=O)N(C)c1cc2onc(C(=O)Nc3ccc(C#N)cc3C(=O)O)c2cc1-c1ccc(N(C)C(C)=O)cc1C(F)(F)F

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALB P02768 2/20 0.30
GHSR Q92847 1/20 0.30
ITK Q08881 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
SCHEMBL6819608 0.98 GHSR (0.32) ALBGHSRITK
SCHEMBL6819494 0.92 ALB (0.33) ALBGHSRITK
SCHEMBL6818790 0.92 ALB (0.32) ALB
SCHEMBL6818364 0.91 RORC (0.34) ALB
SCHEMBL6818601 0.90 DHODH (0.33) ALBGHSR
SCHEMBL6821300 0.90 ALB (0.33) ALB
SCHEMBL6817911 0.90 NTRK1 (0.34) ALB
SCHEMBL6817342 0.89 ALB (0.32) ALBGHSR
SCHEMBL6818476 0.89 GHSR (0.33) ALBGHSR
SCHEMBL6819369 0.89 ALB (0.33) 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