SCHEMBL25975384

SCHEMBL25975384

Cn1cc(C(F)(F)F)nc1-c1ccc(C#N)nc1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.42
DGAT1 O75907 2/20 0.42
PTGS2 P35354 4/20 0.42
USP1 O94782 11/20 0.42
PTGS1 P23219 2/20 0.40
TRPA1 O75762 1/20 0.39
MET P08581 1/20 0.38

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
SCHEMBL25223917 0.80 USP1 (0.45) DGAT1PTGS2USP1PTGS1
SCHEMBL18865809 0.80 CYP11B2 (0.47) SCN9APTGS2USP1PTGS1
SCHEMBL25223739 0.80 DGAT1 (0.60) DGAT1PTGS2USP1PTGS1
SCHEMBL22165900 0.79 MEN1 (0.46) DGAT1PTGS2USP1PTGS1
SCHEMBL29429387 0.79 MEN1 (0.46) DGAT1PTGS2USP1PTGS1
SCHEMBL31497611 0.76 PTGS2 (0.44) DGAT1PTGS2USP1PTGS1
SCHEMBL31661817 0.76 SCN9A (0.46) SCN9APTGS2USP1PTGS1
SCHEMBL31661810 0.76 SCN9A (0.46) SCN9APTGS2USP1PTGS1
SCHEMBL31497613 0.76 DGAT1 (0.45) DGAT1PTGS2USP1PTGS1
SCHEMBL26627860 0.76 USP1 (0.45) DGAT1PTGS2USP1PTGS1

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-2023148643-A1 FUSED BICYCLIC HETEROCYCLYL COMPOUNDS AS USP1 INHIBITORS AURIGENE ONCOLOGY LIMITED (IN) 2023-08-10 WO disclosed