SCHEMBL17599546

SCHEMBL17599546

Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccc(C(CC(=O)OC(C)(C)C)c3ccccc3)c3ccccc23)c1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.45
▸ KMT2A Q03164 5/20 0.45
▸ KDM4E B2RXH2 4/20 0.45
▸ ALDH1A1 P00352 4/20 0.45
▸ HPGD P15428 4/20 0.45
▸ HSD17B10 Q99714 3/20 0.45
▸ CRHBP P24387 1/20 0.45
▸ CRHR2 Q13324 1/20 0.45
▸ KEAP1 Q14145 9/20 0.45
▸ NFE2L2 Q16236 3/20 0.45
▸ GAA P10253 2/20 0.36
▸ G6PD P11413 2/20 0.36
▸ MAP1LC3B Q9GZQ8 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ LMNA P02545 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ BLM P54132 1/20 0.36
▸ MCL1 Q07820 1/20 0.36
▸ SMN1; SMN2 Q16637 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
SCHEMBL17599525 0.87 KMT2A (0.51) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL17599545 0.84 ALDH1A1 (0.47) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL17614142 0.80 CTSS (0.31) HPGDGAATSHRLMNA
SCHEMBL17599542 0.73 KEAP1 (0.48) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL17599541 0.73 KEAP1 (0.48) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL17599380 0.71 MEN1 (0.44) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL17599526 0.70 ALDH1A1 (0.53) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL17599549 0.67 KEAP1 (0.42) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL17614109 0.67 BRD4 (0.33) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL17599554 0.66 KMT2A (0.45) MEN1KMT2AKDM4EALDH1A1HPGD

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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