SCHEMBL31661801

SCHEMBL31661801

CCc1cc(-c2nc(C(F)(F)F)cn2C)ccc1C#N

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.46
USP1 O94782 5/20 0.41
PTGS2 P35354 11/20 0.39
PTGS1 P23219 8/20 0.39
AR P10275 2/20 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
SCHEMBL31661810 0.85 SCN9A (0.46) SCN9AUSP1PTGS2PTGS1AR
SCHEMBL31661817 0.85 SCN9A (0.46) SCN9AUSP1PTGS2PTGS1AR
SCHEMBL30790422 0.84 CYP11B2 (0.47) SCN9AUSP1PTGS2
SCHEMBL25975389 0.84 CYP11B2 (0.47) SCN9AUSP1PTGS2
SCHEMBL25975390 0.81 SCN9A (0.48) SCN9AUSP1PTGS2PTGS1AR
SCHEMBL31537604 0.81 SCN9A (0.48) SCN9AUSP1PTGS2PTGS1AR
SCHEMBL31254779 0.80 PTGS2 (0.40) USP1PTGS2PTGS1
SCHEMBL31255128 0.78 KDM4E (0.41) USP1PTGS2PTGS1
SCHEMBL18865809 0.76 CYP11B2 (0.47) SCN9AUSP1PTGS2PTGS1
SCHEMBL31254996 0.75 ADRB2 (0.43) USP1PTGS2PTGS1

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