SCHEMBL17599542

SCHEMBL17599542

Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccc(C=CC(=O)OC(C)(C)C)c3ccccc23)c1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 8/20 0.48
▸ NFE2L2 Q16236 4/20 0.48
▸ MEN1 O00255 4/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ HPGD P15428 2/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ CRHBP P24387 1/20 0.46
▸ CRHR2 Q13324 1/20 0.46
▸ GAA P10253 3/20 0.39
▸ G6PD P11413 1/20 0.39
▸ MAP1LC3B Q9GZQ8 1/20 0.39
▸ TSHR P16473 1/20 0.38
▸ MAPT P10636 2/20 0.37
▸ TP53 P04637 1/20 0.37
▸ LMNA P02545 2/20 0.37
▸ HTT P42858 2/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 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
SCHEMBL17599541 1.00 KEAP1 (0.48) KEAP1NFE2L2MEN1KMT2AKDM4E
SCHEMBL17599555 0.83 KMT2A (0.45) KEAP1NFE2L2MEN1KMT2AKDM4E
SCHEMBL17599554 0.83 KMT2A (0.45) KEAP1NFE2L2MEN1KMT2AKDM4E
SCHEMBL17614143 0.80 KEAP1 (0.37) KEAP1NFE2L2MAPTLMNAHTT
SCHEMBL17599380 0.74 MEN1 (0.44) KEAP1NFE2L2MEN1KMT2AKDM4E
SCHEMBL17599546 0.73 MEN1 (0.45) KEAP1NFE2L2MEN1KMT2AKDM4E
SCHEMBL17599363 0.70 MEN1 (0.53) KEAP1NFE2L2MEN1KMT2AKDM4E
SCHEMBL18843948 0.68 LMNA (0.52) NFE2L2MEN1KMT2AKDM4EALDH1A1
SCHEMBL17599366 0.67 KDM4E (0.41) KEAP1NFE2L2MEN1KMT2AKDM4E
SCHEMBL22901203 0.67 KEAP1 (0.76) KEAP1NFE2L2ALDH1A1HPGDHSD17B10

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-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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