SCHEMBL31155897

SCHEMBL31155897

COc1ccc(-n2nc(C(F)(F)F)cc2C)cc1COc1nc(Cl)ncc1OC

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ STIM1 Q13586 2/20 0.42
▸ ORAI1 Q96D31 2/20 0.42
▸ USP1 O94782 9/20 0.42
▸ PTGS2 P35354 5/20 0.39
▸ PTGS1 P23219 4/20 0.39
▸ CCR1 P32246 1/20 0.39
▸ WDR48 Q8TAF3 1/20 0.38
▸ MAPT P10636 1/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ THPO P40225 1/20 0.36
▸ BLM P54132 1/20 0.36
▸ PMP22 Q01453 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36

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) STIM1ORAI1USP1PTGS2PTGS1
SCHEMBL31155886 0.80 USP1 (0.48) USP1PTGS2PTGS1WDR48CYP1A2
SCHEMBL31155860 0.79 USP1 (0.42) STIM1ORAI1USP1WDR48
SCHEMBL31255082 0.78 USP1 (0.46) STIM1ORAI1USP1PTGS2PTGS1
SCHEMBL31155904 0.77 CCR1 (0.38) STIM1ORAI1USP1PTGS2PTGS1
SCHEMBL31155941 0.77 USP1 (0.44) USP1PTGS2PTGS1
SCHEMBL25184834 0.76 STIM1 (0.48) STIM1ORAI1USP1WDR48MAPT
SCHEMBL30462000 0.76 USP1 (0.45) STIM1ORAI1USP1PTGS2PTGS1
SCHEMBL30414386 0.76 STIM1 (0.48) STIM1ORAI1USP1WDR48MAPT
SCHEMBL29043912 0.76 USP1 (0.45) STIM1ORAI1USP1PTGS2PTGS1

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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