SCHEMBL6818244

SCHEMBL6818244

CNC(=O)c1cc2c(C(=O)Nc3ccc(C#N)cc3C(=O)O)noc2cc1-c1ccc(N(C)C(C)=O)cc1C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.34
ALB P02768 2/20 0.32
GHSR Q92847 1/20 0.30
RORC P51449 1/20 0.30
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
SCHEMBL6821693 0.98 PDE10A (0.34) PDE10AALBGHSR
SCHEMBL6818936 0.93 ITK (0.32) ALBRORCHIF1A
SCHEMBL6819494 0.91 ALB (0.33) ALBGHSRHIF1A
SCHEMBL7065745 0.91 ITK (0.32) ALB
SCHEMBL6817342 0.91 ALB (0.32) PDE10AALBGHSRHIF1A
SCHEMBL6814204 0.90 GHSR (0.32) ALBGHSR
SCHEMBL6818476 0.90 GHSR (0.33) PDE10AALBGHSR
SCHEMBL7066829 0.90 ALB (0.32) ALBHIF1A
SCHEMBL6821704 0.89 HIF1A (0.35) ALBHIF1A
SCHEMBL6821300 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