SCHEMBL31155860

SCHEMBL31155860

Cc1cc(C(F)(F)F)nn1-c1ccc(COc2nc(Cl)ncc2OC(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ USP1 O94782 14/20 0.42
▸ WDR48 Q8TAF3 1/20 0.38
▸ STIM1 Q13586 2/20 0.38
▸ ORAI1 Q96D31 2/20 0.38
▸ GRIN1 Q05586 4/20 0.35
▸ GRIN2B Q13224 4/20 0.35
▸ RXRA P19793 3/20 0.34

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
SCHEMBL31155958 0.89 USP1 (0.48) USP1WDR48STIM1ORAI1
SCHEMBL31255082 0.86 USP1 (0.46) USP1WDR48STIM1ORAI1GRIN1
SCHEMBL30462100 0.83 STIM1 (0.42) USP1WDR48STIM1ORAI1
SCHEMBL29043925 0.83 STIM1 (0.42) USP1WDR48STIM1ORAI1
SCHEMBL31155886 0.81 USP1 (0.48) USP1WDR48
SCHEMBL31155897 0.79 STIM1 (0.42) USP1WDR48STIM1ORAI1
SCHEMBL31155911 0.78 USP1 (0.43) USP1
SCHEMBL31537663 0.77 USP1 (0.43) USP1WDR48
SCHEMBL31254943 0.77 USP1 (0.44) USP1WDR48
SCHEMBL31254686 0.77 USP1 (0.50) USP1WDR48STIM1ORAI1GRIN1

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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