SCHEMBL17612871

SCHEMBL17612871

CCCCn1cc(S(=O)(=O)Nc2ccc(N3CCC(C(=O)O)C3)c3ccccc23)c(C)n1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 9/20 0.59
▸ NFE2L2 Q16236 2/20 0.59
▸ NOTUM Q6P988 7/20 0.37
▸ KMT2A Q03164 1/20 0.35
▸ BRD4 O60885 1/20 0.34
▸ HSD11B1 P28845 1/20 0.33
▸ CCR8 P51685 1/20 0.33

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
SCHEMBL17599475 1.00 KEAP1 (0.59) KEAP1NFE2L2NOTUMKMT2ABRD4
SCHEMBL17599420 1.00 KEAP1 (0.59) KEAP1NFE2L2NOTUMKMT2ABRD4
SCHEMBL17599508 0.81 KEAP1 (0.62) KEAP1NFE2L2NOTUM
SCHEMBL17612896 0.81 KEAP1 (0.62) KEAP1NFE2L2NOTUM
SCHEMBL17612905 0.80 KEAP1 (0.61) KEAP1NFE2L2NOTUMBRD4
SCHEMBL17599428 0.80 KEAP1 (0.61) KEAP1NFE2L2NOTUMBRD4
SCHEMBL17599512 0.79 KEAP1 (0.71) KEAP1NFE2L2NOTUM
SCHEMBL17599511 0.79 KEAP1 (0.71) KEAP1NFE2L2NOTUM
SCHEMBL17599427 0.77 KEAP1 (0.71) KEAP1NFE2L2NOTUM
SCHEMBL24812743 0.77 KEAP1 (0.87) KEAP1NFE2L2NOTUM

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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