SCHEMBL13199532

SCHEMBL13199532

COc1cc2c(cc1N(C)S(C)(=O)=O)OC(C)(C)[C@H](O)[C@H]2N(CCc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNE1 P15382 10/20 0.44
KCNQ1 P51787 10/20 0.44
ABCB1 P08183 5/20 0.41
KCNA5 P22460 2/20 0.37
KCNH2 Q12809 1/20 0.36
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
ALOX15 P16050 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
SCHEMBL13199633 0.91 ABCB1 (0.44) KCNE1KCNQ1ABCB1KCNA5CYP3A4
SCHEMBL13199529 0.86 ABCB1 (0.43) KCNE1KCNQ1ABCB1KCNA5ALDH1A1
SCHEMBL13199594 0.85 KCNE1 (0.44) KCNE1KCNQ1ABCB1KCNA5KCNH2
SCHEMBL2011765 0.85 ABCB1 (0.46) KCNE1KCNQ1ABCB1KCNA5CYP3A4
SCHEMBL13199634 0.84 ABCB1 (0.44) KCNE1KCNQ1ABCB1KCNA5CYP3A4
SCHEMBL12580760 0.83 ABCB1 (0.42) KCNE1KCNQ1ABCB1KCNA5CYP3A4
SCHEMBL2012197 0.82 ABCB1 (0.42) KCNE1KCNQ1ABCB1KCNA5KCNH2
SCHEMBL12580677 0.81 ABCB1 (0.41) KCNE1KCNQ1ABCB1KCNA5ALDH1A1
SCHEMBL13199622 0.79 ABCB1 (0.44) KCNE1KCNQ1ABCB1KCNA5ALDH1A1
SCHEMBL13199564 0.79 ABCB1 (0.41) KCNE1KCNQ1ABCB1KCNA5ALDH1A1

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
US-7781483-B2 Benzopyran compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-08-24 US disclosed