SCHEMBL30602805

SCHEMBL30602805

CC(C)c1nn(-c2ccc(C(F)(F)F)cc2)c2ccc(S(=O)(=O)Cl)cc12

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 8/20 0.41
▸ CYP2C9 P11712 2/20 0.41
▸ PDPK1 O15530 3/20 0.40
▸ CNR1 P21554 1/20 0.40
▸ SCN9A Q15858 2/20 0.39
▸ CHRNA7 P36544 1/20 0.37
▸ NPY5R Q15761 1/20 0.36
▸ HTR6 P50406 1/20 0.36
▸ PTGS1 P23219 2/20 0.35
▸ EPHX2 P34913 1/20 0.35
▸ FPR1 P21462 1/20 0.35

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
SCHEMBL31202813 0.87 TEAD1 (0.40) PTGS2CYP2C9PDPK1CNR1SCN9A
SCHEMBL26108092 0.87 TEAD1 (0.40) PTGS2CYP2C9PDPK1CNR1SCN9A
SCHEMBL30602796 0.84 RARG (0.40) PTGS2CYP2C9PDPK1CNR1SCN9A
SCHEMBL26106990 0.84 RARG (0.40) PTGS2CYP2C9PDPK1CNR1SCN9A
SCHEMBL30602798 0.82 PTGS2 (0.43) PTGS2CYP2C9PDPK1CNR1SCN9A
SCHEMBL26110273 0.82 PTGS2 (0.43) PTGS2CYP2C9PDPK1CNR1SCN9A
SCHEMBL30602790 0.80 SCN9A (0.40) CYP2C9CNR1SCN9A
SCHEMBL30602801 0.72 NR3C1 (0.49) —
SCHEMBL30056430 0.71 TEAD1 (0.47) PTGS2CYP2C9PDPK1HTR6
SCHEMBL31202705 0.71 TEAD1 (0.39) PTGS2CYP2C9PDPK1CNR1SCN9A

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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