SCHEMBL17599410

SCHEMBL17599410

Cc1cc(C)c(C)c(N(c2c(Br)cc(-c3cccc(C(=O)OC(C)(C)C)c3)c3ccccc23)[SH](=O)=O)c1C

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 2/20 0.35
▸ ABCB1 P08183 1/20 0.35
▸ BRD4 O60885 1/20 0.33
▸ SLC7A5 Q01650 1/20 0.33
▸ CA12 O43570 2/20 0.32
▸ CA1 P00915 2/20 0.32
▸ CA2 P00918 2/20 0.32
▸ CA9 Q16790 2/20 0.32
▸ CA14 Q9ULX7 1/20 0.32
▸ GRM6 O15303 1/20 0.31
▸ STAT3 P40763 1/20 0.31
▸ AXL P30530 1/20 0.31

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
SCHEMBL17599354 0.79 FAAH (0.33) —
SCHEMBL17599409 0.76 MEN1 (0.38) ABCG2ABCB1SLC7A5CA12CA1
SCHEMBL17613340 0.76 SLC7A5 (0.42) ABCG2ABCB1BRD4SLC7A5CA12
SCHEMBL17599347 0.69 AKR1C3 (0.43) AXL
SCHEMBL17613335 0.68 ABCG2 (0.37) ABCG2ABCB1BRD4SLC7A5GRM6
SCHEMBL17599380 0.68 MEN1 (0.44) ABCG2ABCB1BRD4
SCHEMBL17599344 0.68 ABCG2 (0.45) ABCG2ABCB1BRD4SLC7A5CA12
SCHEMBL17599366 0.67 KDM4E (0.41) ABCG2ABCB1STAT3
SCHEMBL2580296 0.67 PPARG (0.45) ABCG2ABCB1BRD4
SCHEMBL1410040 0.67 KMO (0.55) ABCG2ABCB1SLC7A5CA12CA1

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-2998294-A1 Naphthyl sulfonamide phenyl 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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