SCHEMBL31155907

SCHEMBL31155907

COc1cc(-c2nc(C(F)(F)F)cn2C)ccc1COc1nc(Cl)nc2ccoc12

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ USP1 O94782 15/20 0.38
▸ PTGS2 P35354 4/20 0.37
▸ PTGS1 P23219 2/20 0.37
▸ CDK2 P24941 1/20 0.33
▸ GSK3B P49841 1/20 0.33

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
SCHEMBL31138403 0.85 USP1 (0.42) USP1
SCHEMBL30462049 0.84 PTGS2 (0.37) USP1PTGS2PTGS1CDK2GSK3B
SCHEMBL31537629 0.81 USP1 (0.40) USP1PTGS2PTGS1
SCHEMBL31155904 0.80 CCR1 (0.38) USP1PTGS2PTGS1
SCHEMBL31138559 0.78 HDAC1 (0.33) USP1
SCHEMBL31155941 0.77 USP1 (0.44) USP1PTGS2PTGS1
SCHEMBL31155901 0.76 USP1 (0.45) USP1PTGS2PTGS1
SCHEMBL31255086 0.76 USP1 (0.42) USP1PTGS2PTGS1
SCHEMBL31155925 0.75 PDCD1 (0.46) USP1PTGS2PTGS1
SCHEMBL26627762 0.75 USP1 (0.48) 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
Send feedback