SCHEMBL5989846

SCHEMBL5989846

CC1(C)Oc2cc(NS(C)(=O)=O)c(Br)cc2C(NCCc2ccccc2)C1O

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 12/20 0.47
ABCB1 P08183 3/20 0.44
IDO1 P14902 1/20 0.37
KCNE1 P15382 1/20 0.37
KCNQ1 P51787 1/20 0.37
ADRB3 P13945 1/20 0.36
TRPV1 Q8NER1 2/20 0.36

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
SCHEMBL2883962 1.00 KCNA5 (0.47) KCNA5ABCB1IDO1KCNE1KCNQ1
SCHEMBL2887648 0.92 KCNA5 (0.50) KCNA5ABCB1IDO1KCNE1KCNQ1
SCHEMBL2884000 0.89 KCNA5 (0.48) KCNA5ABCB1IDO1KCNE1KCNQ1
SCHEMBL2883998 0.89 KCNA5 (0.48) KCNA5ABCB1IDO1KCNE1KCNQ1
SCHEMBL2889419 0.87 KCNA5 (0.47) KCNA5ABCB1IDO1KCNE1KCNQ1
SCHEMBL2889416 0.87 KCNA5 (0.47) KCNA5ABCB1IDO1KCNE1KCNQ1
SCHEMBL2889459 0.84 KCNA5 (0.47) KCNA5ABCB1IDO1
SCHEMBL2889456 0.84 KCNA5 (0.47) KCNA5ABCB1IDO1
SCHEMBL13476251 0.83 ABCB1 (0.48) KCNA5ABCB1IDO1
SCHEMBL13199615 0.83 ABCB1 (0.47) KCNA5ABCB1IDO1

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-1718629-A2 BENZOPYRAN COMPOUNDS USEFUL FOR THE TREATMENT OF ARRHYTMIA Nissan Chemical Industries, Ltd. (JP) 2006-11-08 EP disclosed
WO-2005080368-A2 BENZOPYRAN COMPOUND USEFUL FOR THE TREATMENT OF ARRHYTMIA NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2005-09-01 WO disclosed