SCHEMBL17612858

SCHEMBL17612858

Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccc(N3CC[C@@H](C(=O)ON)C3)c3ccccc23)c1C

nearest known ligand 0.81

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 11/20 0.81
▸ NFE2L2 Q16236 4/20 0.81
▸ MEN1 O00255 4/20 0.42
▸ KMT2A Q03164 4/20 0.42
▸ KDM4E B2RXH2 4/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ HPGD P15428 2/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ CRHBP P24387 1/20 0.42
▸ CRHR2 Q13324 1/20 0.42
▸ LMNA P02545 2/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.37
▸ MAPT P10636 1/20 0.37
▸ TSHR P16473 2/20 0.37
▸ HTT P42858 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ GAA P10253 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
SCHEMBL17599491 0.90 KEAP1 (1.00) KEAP1NFE2L2MEN1KMT2AKDM4E
SCHEMBL17599442 0.90 KEAP1 (1.00) KEAP1NFE2L2MEN1KMT2AKDM4E
SCHEMBL29584677 0.90 KEAP1 (1.00) KEAP1NFE2L2MEN1KMT2AKDM4E
SCHEMBL17599452 0.90 KEAP1 (1.00) KEAP1NFE2L2MEN1KMT2AKDM4E
SCHEMBL17599447 0.85 KEAP1 (0.71) KEAP1NFE2L2MEN1KMT2AKDM4E
SCHEMBL17612852 0.85 KEAP1 (0.71) KEAP1NFE2L2MEN1KMT2AKDM4E
SCHEMBL17612859 0.85 KEAP1 (0.71) KEAP1NFE2L2MEN1KMT2AKDM4E
SCHEMBL24811433 0.84 KEAP1 (0.89) KEAP1NFE2L2MEN1KMT2AKDM4E
SCHEMBL17599417 0.84 KEAP1 (0.89) KEAP1NFE2L2MEN1KMT2AKDM4E
SCHEMBL17599488 0.84 KEAP1 (0.89) KEAP1NFE2L2MEN1KMT2AKDM4E

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-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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