SCHEMBL5994237

SCHEMBL5994237

COc1cc2c(cc1N(C)S(C)(=O)=O)OC(C)(C)C(O)C2OC(N)=O

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNE1 P15382 11/20 0.36
KCNQ1 P51787 11/20 0.36
ABCC9 O60706 1/20 0.32
STS P08842 1/20 0.32
KCNH2 Q12809 1/20 0.32
USP2 O75604 1/20 0.31
NR3C1 P04150 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
SCHEMBL5994241 1.00 KCNE1 (0.36) KCNE1KCNQ1ABCC9STSKCNH2
SCHEMBL5988198 0.88 ABCC9 (0.35) KCNE1KCNQ1ABCC9
SCHEMBL5988200 0.88 ABCC9 (0.35) KCNE1KCNQ1ABCC9
SCHEMBL2891954 0.81 ALDH1A1 (0.39) KCNE1KCNQ1ABCC9STSNR3C1
SCHEMBL5988553 0.81 ALDH1A1 (0.39) KCNE1KCNQ1ABCC9STSNR3C1
SCHEMBL2891256 0.80 ALDH1A1 (0.42) KCNE1KCNQ1
SCHEMBL2880113 0.80 ABCC9 (0.39) ABCC9STS
SCHEMBL2880116 0.80 ABCC9 (0.39) ABCC9STS
SCHEMBL5988536 0.78 ABCC9 (0.35) ABCC9KCNH2
SCHEMBL5988534 0.78 ABCC9 (0.35) ABCC9KCNH2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1718629-B1 Benzopyran compounds useful for the treatment of arrhytmia NISSAN CHEMICAL IND LTD (JP) 2012-12-26 EP disclosed
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