SCHEMBL17599418

SCHEMBL17599418

Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccc(N3CC[C@@H](C(=O)O)C3)c3ncccc23)c1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 7/20 1.00
▸ NFE2L2 Q16236 1/20 0.77
▸ SLC40A1 Q9NP59 3/20 0.42
▸ MMP2 P08253 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ GFER P55789 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ CTSB P07858 2/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ CRHBP P24387 1/20 0.40
▸ CRHR2 Q13324 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ NOTUM Q6P988 3/20 0.39

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
SCHEMBL17612884 1.00 KEAP1 (1.00) KEAP1NFE2L2SLC40A1MMP2KDM4E
SCHEMBL17599451 1.00 KEAP1 (1.00) KEAP1NFE2L2SLC40A1MMP2KDM4E
SCHEMBL17599439 0.95 KEAP1 (0.90) KEAP1NFE2L2SLC40A1MMP2KDM4E
SCHEMBL17599442 0.87 KEAP1 (1.00) KEAP1NFE2L2KDM4EALDH1A1MEN1
SCHEMBL29584677 0.87 KEAP1 (1.00) KEAP1NFE2L2KDM4EALDH1A1MEN1
SCHEMBL17599452 0.87 KEAP1 (1.00) KEAP1NFE2L2KDM4EALDH1A1MEN1
SCHEMBL17599491 0.87 KEAP1 (1.00) KEAP1NFE2L2KDM4EALDH1A1MEN1
SCHEMBL17599497 0.86 KEAP1 (0.75) KEAP1NFE2L2SLC40A1MMP2KDM4E
SCHEMBL17599436 0.85 KEAP1 (0.74) KEAP1NFE2L2ALDH1A1GAAHTT
SCHEMBL17599448 0.85 KEAP1 (0.73) KEAP1NFE2L2SLC40A1MMP2KDM4E

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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