SCHEMBL17599377

SCHEMBL17599377

Cc1c(S(=O)(=O)Nc2ccc(-c3cc(C(=O)O)ccc3F)c3ncccc23)sc2ccc(Cl)cc12

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PFKFB3 Q16875 7/20 0.56
▸ PFKFB4 Q16877 6/20 0.56
▸ CMA1 P23946 8/20 0.51
▸ KEAP1 Q14145 1/20 0.48
▸ HTR6 P50406 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL17613337 0.89 PFKFB3 (0.63) PFKFB3PFKFB4CMA1KEAP1HTR6
SCHEMBL17599334 0.86 PFKFB4 (0.41) PFKFB3PFKFB4CMA1
SCHEMBL17599401 0.78 PFKFB4 (0.69) PFKFB3PFKFB4CMA1KEAP1HTR6
SCHEMBL5621524 0.77 PFKFB3 (0.70) PFKFB3PFKFB4CMA1KEAP1NPSR1
SCHEMBL2912893 0.76 CMA1 (0.82) PFKFB3PFKFB4CMA1NPSR1L3MBTL1
SCHEMBL5620427 0.75 CMA1 (0.85) PFKFB3PFKFB4CMA1KEAP1HTR6
SCHEMBL17599375 0.75 ACLY (0.49) KEAP1
SCHEMBL16775639 0.74 CMA1 (0.67) PFKFB3PFKFB4CMA1NPSR1L3MBTL1
SCHEMBL17599438 0.74 KEAP1 (0.80) PFKFB3PFKFB4CMA1KEAP1HTR6
SCHEMBL5621183 0.73 CMA1 (0.83) PFKFB3PFKFB4CMA1KEAP1NPSR1

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
EP-2998294-A1 Naphthyl sulfonamide phenyl derivatives as KEAP-1 modulators for the treatment of diabetes, obesity, dyslipidemia and related disorders SANOFI (FR) 2016-03-23 — — EP disclosed
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