SCHEMBL26108569

SCHEMBL26108569

CNS(=O)(=O)c1ccc2c(c1)c(OC)nn2-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ TEAD1 P28347 2/20 0.40
▸ YAP1 P46937 1/20 0.40
▸ SCN9A Q15858 1/20 0.40
▸ PTGS2 P35354 7/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ NPY5R Q15761 1/20 0.39
▸ TNNI3K Q59H18 1/20 0.39
▸ PDPK1 O15530 1/20 0.39
▸ RORC P51449 1/20 0.39
▸ RARG P13631 1/20 0.39
▸ PIK3CA P42336 1/20 0.38
▸ MTOR P42345 1/20 0.38
▸ PARG Q86W56 1/20 0.37
▸ PTGS1 P23219 2/20 0.37

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
SCHEMBL31202607 1.00 MEN1 (0.41) MEN1ALOX15MAPK1KMT2ATEAD1
SCHEMBL26107184 0.89 TEAD1 (0.39) MEN1ALOX15MAPK1KMT2ATEAD1
SCHEMBL31202705 0.89 TEAD1 (0.39) MEN1ALOX15MAPK1KMT2ATEAD1
SCHEMBL31202803 0.87 PTGS2 (0.51) SCN9APTGS2CYP2C9PDPK1PTGS1
SCHEMBL26108786 0.87 PTGS2 (0.51) SCN9APTGS2CYP2C9PDPK1PTGS1
SCHEMBL31202718 0.85 CYP2C9 (0.42) SCN9APTGS2CYP2C9PDPK1RORC
SCHEMBL26107647 0.85 CYP2C9 (0.42) SCN9APTGS2CYP2C9PDPK1RORC
SCHEMBL30602812 0.84 PTGS2 (0.43) TEAD1YAP1SCN9APTGS2CYP2C9
SCHEMBL31202723 0.84 NPY5R (0.45) TEAD1YAP1SCN9APTGS2CYP2C9
SCHEMBL26105623 0.84 NPY5R (0.45) TEAD1YAP1SCN9APTGS2CYP2C9

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
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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