SCHEMBL30602787

SCHEMBL30602787

COc1ccc(CSc2ccc3c(c2)c(C(C)C)nn3-c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PPARD Q03181 2/20 0.40
▸ PPARA Q07869 1/20 0.40
▸ MAOB P27338 2/20 0.39
▸ SCN9A Q15858 2/20 0.39
▸ CKS1B P61024 1/20 0.38
▸ SKP2 Q13309 1/20 0.38
▸ APP P05067 1/20 0.38
▸ MAOA P21397 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ GSK3B P49841 1/20 0.37
▸ FABP3 P05413 1/20 0.37
▸ FABP4 P15090 1/20 0.37
▸ PTGS1 P23219 1/20 0.36
▸ PTGS2 P35354 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
SCHEMBL30602784 0.80 SMO (0.46) PPARDPPARAMAOBCKS1BSKP2
SCHEMBL30602780 0.77 CNR1 (0.44) PPARDPPARAMAOBCKS1BSKP2
SCHEMBL30602790 0.73 SCN9A (0.40) PPARASCN9A
SCHEMBL13202468 0.71 SCN9A (0.49) SCN9APTGS1PTGS2
SCHEMBL4794897 0.69 SCN9A (0.48) SCN9APTGS1PTGS2
SCHEMBL4793067 0.69 PPARD (0.59) PPARDPPARA
SCHEMBL30602805 0.69 PTGS2 (0.41) SCN9APTGS1PTGS2
SCHEMBL4792820 0.69 SCN9A (0.45) SCN9APTGS1PTGS2
SCHEMBL29878600 0.68 CASR (0.47) PPARDPPARAMAOBAPPMAOA
SCHEMBL31202813 0.68 TEAD1 (0.40) SCN9APTGS2

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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