SCHEMBL31155901

SCHEMBL31155901

COc1cnc(Cl)nc1OCc1ccc(-c2nc(C(F)(F)F)cn2C)cc1F

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ USP1 O94782 14/20 0.45
▸ PTGS2 P35354 6/20 0.40
▸ PTGS1 P23219 4/20 0.40

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
SCHEMBL31155941 0.92 USP1 (0.44) USP1PTGS2PTGS1
SCHEMBL31255086 0.90 USP1 (0.42) USP1PTGS2PTGS1
SCHEMBL31155920 0.85 USP1 (0.51) USP1
SCHEMBL25978632 0.84 USP1 (0.44) USP1PTGS2PTGS1
SCHEMBL31254707 0.83 USP1 (0.45) USP1
SCHEMBL31255009 0.79 USP1 (0.45) USP1
SCHEMBL31254953 0.79 USP1 (0.45) USP1
SCHEMBL31254905 0.79 USP1 (0.43) USP1PTGS2
SCHEMBL31496646 0.79 USP1 (0.43) USP1PTGS2PTGS1
SCHEMBL30462024 0.78 USP1 (0.42) 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-2024208292-A1 UBIQUITIN-SPECIFIC PROTEASE 1 INHIBITOR, PREPARATION METHOD THEREFOR, AND MEDICAL USE THEREOF 江苏亚虹医药科技股份有限公司 2024-10-10 — — WO disclosed
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