SCHEMBL30602790

SCHEMBL30602790

CC(C)c1nn(-c2ccc(C(F)(F)F)cc2)c2ccc(Br)cc12

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 2/20 0.40
▸ CASR P41180 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ CTDSP1 Q9GZU7 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ PPARA Q07869 2/20 0.35
▸ NR3C1 P04150 1/20 0.35
▸ CNR1 P21554 1/20 0.35
▸ NLRP3 Q96P20 2/20 0.34
▸ ENPP2 Q13822 1/20 0.34
▸ HSP90AA1 P07900 1/20 0.33
▸ HSP90AB1 P08238 1/20 0.33
▸ TEAD1 P28347 1/20 0.33
▸ TEAD4 Q15561 1/20 0.33
▸ TEAD2 Q15562 1/20 0.33
▸ TEAD3 Q99594 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ CYP2C9 P11712 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
SCHEMBL30602810 0.81 SCN9A (0.40) SCN9ACASRMAPTRAB9ACTDSP1
SCHEMBL31596223 0.80 SCN9A (0.42) SCN9AMAPTRAB9ACTDSP1L3MBTL1
SCHEMBL30602805 0.80 PTGS2 (0.41) SCN9ACNR1CYP2C9
SCHEMBL31202813 0.78 TEAD1 (0.40) SCN9AMAPTNR3C1CNR1TEAD1
SCHEMBL26108092 0.78 TEAD1 (0.40) SCN9AMAPTNR3C1CNR1TEAD1
SCHEMBL30602787 0.73 PPARD (0.40) SCN9APPARA
SCHEMBL17195540 0.70 NLRP3 (0.43) MAPTNLRP3
SCHEMBL27074754 0.69 NLRP3 (0.36) NLRP3
SCHEMBL4219463 0.69 NR3C1 (0.54) NR3C1
SCHEMBL28742526 0.69 ATM (0.39) SCN9ACASRPPARACNR1HSP90AA1

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
Send feedback