SCHEMBL31202808

SCHEMBL31202808

CNS(=O)(=O)c1ccc2c(c1)c(OC)nn2Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PARG Q86W56 1/20 0.43
▸ PTGDR2 Q9Y5Y4 2/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ TEAD1 P28347 2/20 0.39
▸ YAP1 P46937 1/20 0.39
▸ PTGER4 P35408 2/20 0.38
▸ FSCN1 Q16658 1/20 0.38
▸ TNNI3K Q59H18 2/20 0.37
▸ NPBWR1 P48145 1/20 0.37
▸ PPARG P37231 1/20 0.37
▸ BRAF P15056 1/20 0.36
▸ PPARA Q07869 1/20 0.36
▸ PIK3CA P42336 1/20 0.36
▸ MTOR P42345 1/20 0.36
▸ AKR1C3 P42330 1/20 0.36
▸ AKR1C2 P52895 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
SCHEMBL26105122 1.00 PARG (0.43) PARGPTGDR2MEN1ALOX15MAPK1
SCHEMBL30602786 0.89 PTGDR2 (0.40) PARGPTGDR2PTGER4FSCN1NPBWR1
SCHEMBL26108490 0.86 CNR2 (0.47) PARGKMT2A
SCHEMBL26108569 0.84 MEN1 (0.41) PARGMEN1ALOX15MAPK1KMT2A
SCHEMBL31202607 0.84 MEN1 (0.41) PARGMEN1ALOX15MAPK1KMT2A
SCHEMBL30602808 0.79 CNR1 (0.40) PTGER4FSCN1NPBWR1PIK3CA
SCHEMBL30602806 0.74 CNR2 (0.50) PTGDR2
SCHEMBL31202705 0.73 TEAD1 (0.39) PARGMEN1ALOX15MAPK1KMT2A
SCHEMBL26107184 0.73 TEAD1 (0.39) PARGMEN1ALOX15MAPK1KMT2A
SCHEMBL30602780 0.73 CNR1 (0.44) PTGDR2PTGER4NPBWR1PPARAAKR1C3

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 1 patent. 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
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