SCHEMBL17599548

SCHEMBL17599548

CCOC(=O)C1CCCN(c2cc(NS(=O)(=O)c3c(C)c(C)cc(C)c3C)c3ccccc3c2)C1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 4/20 0.53
▸ TSHR P16473 3/20 0.53
▸ KEAP1 Q14145 4/20 0.53
▸ NFE2L2 Q16236 1/20 0.53
▸ ALDH1A1 P00352 7/20 0.49
▸ KMT2A Q03164 4/20 0.45
▸ MEN1 O00255 3/20 0.45
▸ APAF1 O14727 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ GAA P10253 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ SHMT2 P34897 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ MAPK1 P28482 3/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ HPGD P15428 1/20 0.43

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
SCHEMBL17599450 0.90 KEAP1 (0.66) NPSR1TSHRKEAP1NFE2L2ALDH1A1
SCHEMBL17599447 0.86 KEAP1 (0.71) NPSR1TSHRKEAP1NFE2L2ALDH1A1
SCHEMBL17612852 0.86 KEAP1 (0.71) NPSR1TSHRKEAP1NFE2L2ALDH1A1
SCHEMBL17612859 0.86 KEAP1 (0.71) NPSR1TSHRKEAP1NFE2L2ALDH1A1
SCHEMBL17599530 0.84 KEAP1 (0.73) KEAP1NFE2L2ALDH1A1KMT2AMEN1
SCHEMBL17599445 0.79 ALDH1A1 (0.55) NPSR1TSHRALDH1A1KMT2AMEN1
SCHEMBL17599436 0.79 KEAP1 (0.74) NPSR1TSHRKEAP1NFE2L2ALDH1A1
SCHEMBL17614083 0.76 KEAP1 (0.41) NPSR1TSHRKEAP1NFE2L2ALDH1A1
SCHEMBL17599550 0.76 KEAP1 (0.41) NPSR1TSHRKEAP1NFE2L2ALDH1A1
SCHEMBL17599553 0.76 KEAP1 (0.49) TSHRKEAP1NFE2L2ALDH1A1KMT2A

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
EP-2998292-A1 Naphthyl sulfonamide derivatives as KEAP-1 modulators for the treatment of diabetes, obesity, dyslipidemia and related disorders SANOFI (FR) 2016-03-23 — — EP disclosed
EP-2998292-A1 Naphthyl sulfonamide 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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