SCHEMBL30602798

SCHEMBL30602798

O=S(=O)(Cl)c1ccc2c(c1)c(O)nn2-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 8/20 0.43
▸ SCN9A Q15858 1/20 0.43
▸ CYP2C9 P11712 2/20 0.43
▸ PDPK1 O15530 2/20 0.42
▸ CNR1 P21554 1/20 0.39
▸ CHRNA7 P36544 1/20 0.39
▸ PTGS1 P23219 3/20 0.39
▸ EPHX2 P34913 2/20 0.39
▸ KEAP1 Q14145 1/20 0.39
▸ RARG P13631 1/20 0.37
▸ NPY5R Q15761 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
SCHEMBL26110273 1.00 PTGS2 (0.43) PTGS2SCN9ACYP2C9PDPK1CNR1
SCHEMBL30602812 0.85 PTGS2 (0.43) PTGS2SCN9ACYP2C9PDPK1CHRNA7
SCHEMBL30602805 0.82 PTGS2 (0.41) PTGS2SCN9ACYP2C9PDPK1CNR1
SCHEMBL30602796 0.80 RARG (0.40) PTGS2SCN9ACYP2C9PDPK1CNR1
SCHEMBL26106990 0.80 RARG (0.40) PTGS2SCN9ACYP2C9PDPK1CNR1
SCHEMBL30602799 0.76 BMP1 (0.46) PTGS2SCN9APTGS1
SCHEMBL26109702 0.76 BMP1 (0.46) PTGS2SCN9APTGS1
SCHEMBL30602801 0.75 NR3C1 (0.49) —
SCHEMBL61336 0.72 KIF11 (0.55) PTGS2PTGS1
SCHEMBL30056430 0.71 TEAD1 (0.47) PTGS2CYP2C9PDPK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119095828-A Indazole compound, preparation method and application thereof in medicine 江苏恒瑞医药股份有限公司 2024-12-06 — — CN disclosed
WO-2023186058-A1 INDAZOLE COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF IN MEDICINE 江苏恒瑞医药股份有限公司 2023-10-05 — — WO disclosed
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