SCHEMBL31155904

SCHEMBL31155904

COc1cc(-n2nc(C(F)(F)F)cc2C)ccc1COc1nc(Cl)nc2ccoc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 1/20 0.38
▸ USP1 O94782 8/20 0.36
▸ STIM1 Q13586 2/20 0.36
▸ ORAI1 Q96D31 2/20 0.36
▸ TSHR P16473 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ PTGS2 P35354 4/20 0.33
▸ PTGS1 P23219 3/20 0.33
▸ MAPT P10636 1/20 0.33
▸ WDR48 Q8TAF3 1/20 0.33
▸ KLKB1 P03952 1/20 0.33
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ THPO P40225 1/20 0.32
▸ BLM P54132 1/20 0.32

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
SCHEMBL31155983 0.86 USP1 (0.41) USP1STIM1ORAI1TSHRKDM4E
SCHEMBL30462037 0.84 STIM1 (0.39) CCR1USP1STIM1ORAI1TSHR
SCHEMBL31155907 0.80 USP1 (0.38) USP1PTGS2PTGS1
SCHEMBL31155897 0.77 STIM1 (0.42) CCR1USP1STIM1ORAI1TSHR
SCHEMBL26627832 0.74 CCR1 (0.45) CCR1USP1STIM1ORAI1TSHR
SCHEMBL31155882 0.74 PTGS2 (0.49) CCR1STIM1ORAI1PTGS2PTGS1
SCHEMBL31155958 0.72 USP1 (0.48) USP1STIM1ORAI1TSHRPTGS2
SCHEMBL31423591 0.71 PDE4A (0.40) USP1STIM1ORAI1TSHRKDM4E
SCHEMBL31423506 0.71 APP (0.36) STIM1ORAI1TSHRKDM4EALDH1A1
SCHEMBL31537663 0.71 USP1 (0.43) USP1TSHRALDH1A1MAPTWDR48

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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