SCHEMBL17612907

SCHEMBL17612907

Cn1ccc2c([S+]([O-])Nc3ccc(N4CC[C@@H](C(=O)O)C4)c4ccccc34)cccc21

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 7/20 0.48
▸ NFE2L2 Q16236 1/20 0.48
▸ NOTUM Q6P988 12/20 0.40
▸ MGLL Q99685 1/20 0.35

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
SCHEMBL17612862 0.83 KEAP1 (0.54) KEAP1NFE2L2NOTUM
SCHEMBL17599501 0.80 KEAP1 (0.62) KEAP1NFE2L2NOTUM
SCHEMBL17612882 0.78 CTSB (0.50) KEAP1
SCHEMBL17612878 0.78 KEAP1 (0.67) KEAP1NFE2L2NOTUM
SCHEMBL17612885 0.77 KEAP1 (0.55) KEAP1NFE2L2NOTUM
SCHEMBL17612888 0.76 KEAP1 (0.52) KEAP1NFE2L2NOTUM
SCHEMBL17612890 0.75 KEAP1 (0.48) KEAP1NFE2L2NOTUM
SCHEMBL17612886 0.74 KEAP1 (0.56) KEAP1NFE2L2NOTUM
SCHEMBL17612877 0.74 KEAP1 (0.67) KEAP1NFE2L2NOTUM
SCHEMBL17612860 0.73 KEAP1 (0.60) 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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