SCHEMBL17599414

SCHEMBL17599414

Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccc(C3CCCC3C(=O)O)c3ccccc23)c1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 7/20 0.56
▸ NFE2L2 Q16236 4/20 0.56
▸ KMT2A Q03164 7/20 0.51
▸ MEN1 O00255 6/20 0.51
▸ ALDH1A1 P00352 3/20 0.51
▸ KDM4E B2RXH2 3/20 0.51
▸ HPGD P15428 2/20 0.51
▸ HSD17B10 Q99714 2/20 0.51
▸ CRHBP P24387 1/20 0.51
▸ CRHR2 Q13324 1/20 0.51
▸ GAA P10253 3/20 0.40
▸ TSHR P16473 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ LMNA P02545 2/20 0.39
▸ HTT P42858 2/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ G6PD P11413 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
SCHEMBL17599481 0.90 KEAP1 (0.50) KEAP1NFE2L2KMT2AMEN1ALDH1A1
SCHEMBL17599524 0.82 MEN1 (0.49) KEAP1NFE2L2KMT2AMEN1ALDH1A1
SCHEMBL17599544 0.73 KDM4E (0.45) KEAP1NFE2L2KMT2AMEN1ALDH1A1
SCHEMBL17599488 0.73 KEAP1 (0.89) KEAP1NFE2L2KMT2AMEN1ALDH1A1
SCHEMBL17599417 0.73 KEAP1 (0.89) KEAP1NFE2L2KMT2AMEN1ALDH1A1
SCHEMBL17599434 0.73 KEAP1 (0.89) KEAP1NFE2L2KMT2AMEN1ALDH1A1
SCHEMBL17599477 0.72 KEAP1 (0.59) KEAP1NFE2L2KMT2AMEN1ALDH1A1
SCHEMBL17599442 0.72 KEAP1 (1.00) KEAP1NFE2L2KMT2AMEN1ALDH1A1
SCHEMBL29584677 0.72 KEAP1 (1.00) KEAP1NFE2L2KMT2AMEN1ALDH1A1
SCHEMBL17599452 0.72 KEAP1 (1.00) KEAP1NFE2L2KMT2AMEN1ALDH1A1

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-2997966-A1 Naphthyl Sulfonamide Pyrrolidine Derivatives as KEAP-1 Modulators for the Treatment of Diabetes, Obesity, Dyslipidemia and Related Disorders SANOFI (FR) 2016-03-23 — — EP disclosed
EP-2997966-A1 Naphthyl Sulfonamide Pyrrolidine 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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