SCHEMBL17599540

SCHEMBL17599540

Cc1cc(C)c(C)c(S(=O)(=O)Nc2cc(C3=CCC(C(=O)O)CC3)cc3ccccc23)c1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 7/20 0.50
▸ NFE2L2 Q16236 4/20 0.50
▸ KDM4E B2RXH2 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ HPGD P15428 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ CRHBP P24387 1/20 0.44
▸ CRHR2 Q13324 1/20 0.44
▸ EPHX2 P34913 1/20 0.36
▸ GAA P10253 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ ACLY P53396 2/20 0.35
▸ CCNT1 O60563 2/20 0.35
▸ CDK9 P50750 2/20 0.35
▸ LMNA P02545 2/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34

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
SCHEMBL17614106 1.00 KEAP1 (0.50) KEAP1NFE2L2KDM4EMEN1ALDH1A1
SCHEMBL17614083 0.89 KEAP1 (0.41) KEAP1NFE2L2KDM4EMEN1ALDH1A1
SCHEMBL17599550 0.89 KEAP1 (0.41) KEAP1NFE2L2KDM4EMEN1ALDH1A1
SCHEMBL17599477 0.84 KEAP1 (0.59) KEAP1NFE2L2KDM4EMEN1ALDH1A1
SCHEMBL17599467 0.75 KMT2A (0.55) KEAP1NFE2L2KDM4EMEN1ALDH1A1
SCHEMBL17599530 0.75 KEAP1 (0.73) KEAP1NFE2L2KDM4EMEN1ALDH1A1
SCHEMBL17599510 0.73 KMT2A (0.53) KEAP1NFE2L2KDM4EMEN1ALDH1A1
SCHEMBL17599450 0.73 KEAP1 (0.66) KEAP1NFE2L2KDM4EMEN1ALDH1A1
SCHEMBL17599524 0.72 MEN1 (0.49) KEAP1NFE2L2KDM4EMEN1ALDH1A1
SCHEMBL17599435 0.72 ALDH1A1 (0.57) KDM4EMEN1ALDH1A1HPGDKMT2A

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 claimed
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