SCHEMBL17599549

SCHEMBL17599549

Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccc(CC(C(=O)O)c3cccc(C(F)(F)F)c3)c3ccccc23)c1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 5/20 0.42
▸ NFE2L2 Q16236 2/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ CRHBP P24387 1/20 0.42
▸ CRHR2 Q13324 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ PTGFR P43088 1/20 0.40
▸ MCL1 Q07820 5/20 0.40
▸ IDH1 O75874 5/20 0.38
▸ LMNA P02545 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ MAPK1 P28482 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
SCHEMBL17599525 0.70 KMT2A (0.51) KEAP1NFE2L2MEN1KMT2AKDM4E
SCHEMBL28858320 0.68 ACP3 (0.63) MEN1KMT2AALDH1A1CYP1A2CYP3A4
SCHEMBL17599552 0.67 KDM4E (0.47) KEAP1NFE2L2MEN1KMT2AKDM4E
SCHEMBL17599372 0.66 ALDH1A1 (0.62) KEAP1NFE2L2MEN1KMT2AKDM4E
SCHEMBL3674481 0.66 MEN1 (0.61) MEN1KMT2AALDH1A1CYP1A2CYP3A4
SCHEMBL17599329 0.65 KMT2A (0.55) KEAP1NFE2L2MEN1KMT2AKDM4E
SCHEMBL17599363 0.65 MEN1 (0.53) KEAP1NFE2L2MEN1KMT2AKDM4E
SCHEMBL6368429 0.64 CHRM2 (0.54) MEN1KMT2AALDH1A1CYP1A2CYP3A4
SCHEMBL6368425 0.64 CHRM2 (0.54) MEN1KMT2AALDH1A1CYP1A2CYP3A4
SCHEMBL6368432 0.64 CHRM2 (0.54) MEN1KMT2AALDH1A1CYP1A2CYP3A4

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
Send feedback