SCHEMBL17612898

SCHEMBL17612898

Cc1c([S+]([O-])Nc2ccc(N3CC[C@@H](C(=O)O)C3)c3ncccc23)c2ccccc2n1C

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 7/20 0.55
▸ NFE2L2 Q16236 1/20 0.42
▸ CTSB P07858 3/20 0.40
▸ NOTUM Q6P988 7/20 0.38
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPT P10636 1/20 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
SCHEMBL17612855 0.90 CTSB (0.52) KEAP1CTSBALDH1A1MAPT
SCHEMBL17599448 0.82 KEAP1 (0.73) KEAP1NFE2L2CTSBNOTUMALDH1A1
SCHEMBL17612888 0.77 KEAP1 (0.52) KEAP1NFE2L2NOTUM
SCHEMBL17612878 0.75 KEAP1 (0.67) KEAP1NFE2L2NOTUM
SCHEMBL17612882 0.74 CTSB (0.50) KEAP1CTSBALDH1A1MAPT
SCHEMBL17599504 0.71 KEAP1 (0.65) KEAP1NFE2L2
SCHEMBL17599418 0.71 KEAP1 (1.00) KEAP1NFE2L2CTSBNOTUMALDH1A1
SCHEMBL17612884 0.71 KEAP1 (1.00) KEAP1NFE2L2CTSBNOTUMALDH1A1
SCHEMBL17599451 0.71 KEAP1 (1.00) KEAP1NFE2L2CTSBNOTUMALDH1A1
SCHEMBL17612907 0.71 KEAP1 (0.48) 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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