SCHEMBL13199529

SCHEMBL13199529

COc1cc2c(cc1NS(C)(=O)=O)OC(C)(C)[C@H](O)[C@H]2N(CCc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 7/20 0.43
KCNA5 P22460 6/20 0.41
KCNE1 P15382 3/20 0.41
KCNQ1 P51787 3/20 0.41
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP3A4 P08684 1/20 0.37
ALOX15 P16050 1/20 0.37

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
SCHEMBL12580760 0.91 ABCB1 (0.42) ABCB1KCNA5KCNE1KCNQ1CYP3A4
SCHEMBL13199634 0.90 ABCB1 (0.44) ABCB1KCNA5KCNE1KCNQ1CYP3A4
SCHEMBL12580677 0.88 ABCB1 (0.41) ABCB1KCNA5KCNE1KCNQ1ALDH1A1
SCHEMBL13199532 0.86 KCNE1 (0.44) ABCB1KCNA5KCNE1KCNQ1ALDH1A1
SCHEMBL13199564 0.86 ABCB1 (0.41) ABCB1KCNA5KCNE1KCNQ1ALDH1A1
SCHEMBL2011765 0.86 ABCB1 (0.46) ABCB1KCNA5KCNE1KCNQ1CYP3A4
SCHEMBL13199633 0.85 ABCB1 (0.44) ABCB1KCNA5KCNE1KCNQ1CYP3A4
SCHEMBL2012197 0.83 ABCB1 (0.42) ABCB1KCNA5KCNE1KCNQ1ALDH1A1
SCHEMBL13199556 0.82 NR3C1 (0.37) ABCB1KCNA5KCNE1KCNQ1
SCHEMBL3599142 0.82 KCNE1 (0.40) ABCB1KCNA5KCNE1KCNQ1ALDH1A1

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