SCHEMBL31661828

SCHEMBL31661828

Cn1cc(C(F)(F)F)nc1-c1ccc(-c2ncon2)cc1

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
USP1 O94782 18/20 0.41
PTGS2 P35354 1/20 0.39
DGAT1 O75907 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
SCHEMBL31661659 0.81 LMNA (0.55)
Ammonia Solution, Strong SCHEMBL29124929 0.77 PTGS2 (0.52) USP1PTGS2
SCHEMBL31661744 0.76 NR1H4 (0.50)
SCHEMBL31661762 0.76 NR1H4 (0.50)
SCHEMBL25431072 0.76 PTGS2 (0.44) USP1PTGS2
SCHEMBL22165856 0.76 PTGS2 (0.44) USP1PTGS2DGAT1
SCHEMBL10915635 0.76 PTGS2 (0.44) USP1PTGS2
SCHEMBL11628555 0.76 PTGS2 (0.56) USP1PTGS2
SCHEMBL7480252 0.76 PTGS2 (0.54) USP1PTGS2
SCHEMBL31661798 0.75 CASP3 (0.44) USP1DGAT1

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-2025151705-A1 NOVEL INHIBITORS OF DNA DAMAGE REPAIR PATHWAY VRISE THERAPEUTICS, INC. (US) 2025-07-17 WO disclosed