SCHEMBL17599508

SCHEMBL17599508

CCCCCCCCn1nc(C)c(S(=O)(=O)Nc2ccc(N3CC[C@@H](C(=O)O)C3)c3ccccc23)c1C

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 9/20 0.62
▸ NFE2L2 Q16236 2/20 0.62
▸ NOTUM Q6P988 5/20 0.36
▸ KCNH2 Q12809 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ S1PR4 O95977 1/20 0.34
▸ S1PR1 P21453 1/20 0.34
▸ S1PR3 Q99500 1/20 0.34
▸ S1PR5 Q9H228 1/20 0.34
▸ POLB P06746 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
SCHEMBL17612896 1.00 KEAP1 (0.62) KEAP1NFE2L2NOTUMKCNH2LMNA
SCHEMBL17599464 0.90 KEAP1 (0.66) KEAP1NFE2L2NOTUMSMN1; SMN2
SCHEMBL17599512 0.86 KEAP1 (0.71) KEAP1NFE2L2NOTUMLMNAMAPK1
SCHEMBL17599511 0.86 KEAP1 (0.71) KEAP1NFE2L2NOTUMLMNAMAPK1
SCHEMBL17599422 0.83 KEAP1 (0.70) KEAP1NFE2L2NOTUMLMNAMAPK1
SCHEMBL17599484 0.83 KEAP1 (0.70) KEAP1NFE2L2NOTUMLMNAMAPK1
SCHEMBL17612856 0.83 KEAP1 (0.56) KEAP1NFE2L2MAPK1SMN1; SMN2POLB
SCHEMBL17599427 0.81 KEAP1 (0.71) KEAP1NFE2L2NOTUM
SCHEMBL17612871 0.81 KEAP1 (0.59) KEAP1NFE2L2NOTUM
SCHEMBL17599475 0.81 KEAP1 (0.59) 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 2 patents. 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 claimed
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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