SCHEMBL30602780

SCHEMBL30602780

COc1ccc(CSc2ccc3c(c2)c(OC)nn3Cc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 1/20 0.44
▸ CNR2 P34972 1/20 0.44
▸ PTGDR2 Q9Y5Y4 1/20 0.44
▸ NPBWR1 P48145 1/20 0.43
▸ MAOB P27338 2/20 0.41
▸ PTGER4 P35408 1/20 0.40
▸ PPARD Q03181 1/20 0.39
▸ PPARA Q07869 1/20 0.39
▸ GRIN1 Q05586 1/20 0.39
▸ GRIN2B Q13224 1/20 0.39
▸ APP P05067 1/20 0.39
▸ CKS1B P61024 1/20 0.39
▸ SKP2 Q13309 1/20 0.39
▸ AKR1C3 P42330 1/20 0.39
▸ MAOA P21397 1/20 0.39
▸ FABP3 P05413 1/20 0.38
▸ FABP4 P15090 1/20 0.38

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
SCHEMBL30602781 0.88 CNR2 (0.53) CNR1CNR2MAOBPTGER4APP
SCHEMBL30602808 0.79 CNR1 (0.40) CNR1CNR2NPBWR1PTGER4
SCHEMBL30602787 0.77 PPARD (0.40) MAOBPPARDPPARAAPPCKS1B
SCHEMBL30602786 0.75 PTGDR2 (0.40) CNR1CNR2PTGDR2NPBWR1PTGER4
SCHEMBL8624597 0.74 PTGER4 (0.51) CNR1CNR2NPBWR1PTGER4GRIN1
SCHEMBL30602784 0.73 SMO (0.46) NPBWR1MAOBPPARDPPARAAPP
SCHEMBL26105122 0.73 PARG (0.43) PTGDR2NPBWR1PTGER4PPARAAKR1C3
SCHEMBL31202808 0.73 PARG (0.43) PTGDR2NPBWR1PTGER4PPARAAKR1C3
SCHEMBL27800056 0.70 CNR2 (0.80) CNR1CNR2PTGER4
SCHEMBL29878600 0.69 CASR (0.47) MAOBPPARDPPARAGRIN1GRIN2B

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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