SCHEMBL9397706

SCHEMBL9397706

CC(=O)NN(C(C)=O)[C@H]1c2cc(S(C)(=O)=O)ccc2OC(C)(C)[C@@H]1O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNE1 P15382 17/20 0.47
KCNQ1 P51787 17/20 0.47
KDM4E B2RXH2 1/20 0.46
CYP3A4 P08684 2/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
KCND3 Q9UK17 1/20 0.41
KCNH2 Q12809 1/20 0.39
KCNA5 P22460 1/20 0.39
ALOX15 P16050 1/20 0.39

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
SCHEMBL9397719 1.00 KCNE1 (0.47) KCNE1KCNQ1KDM4ECYP3A4MEN1
SCHEMBL9397732 1.00 KCNE1 (0.47) KCNE1KCNQ1KDM4ECYP3A4MEN1
SCHEMBL9398505 0.87 ABCC9 (0.47) KCNE1KCNQ1KDM4ECYP3A4KCNA5
SCHEMBL9398496 0.87 ABCC9 (0.47) KCNE1KCNQ1KDM4ECYP3A4KCNA5
SCHEMBL9398485 0.87 ABCC9 (0.47) KCNE1KCNQ1KDM4ECYP3A4KCNA5
SCHEMBL9397745 0.83 KCNE1 (0.59) KCNE1KCNQ1KDM4ECYP3A4ALOX15
SCHEMBL9397763 0.83 KCNE1 (0.59) KCNE1KCNQ1KDM4ECYP3A4ALOX15
SCHEMBL9397756 0.83 KCNE1 (0.59) KCNE1KCNQ1KDM4ECYP3A4ALOX15
SCHEMBL9397720 0.82 KDM4E (0.46) KCNE1KCNQ1KDM4ECYP3A4MEN1
SCHEMBL9397708 0.82 KDM4E (0.46) KCNE1KCNQ1KDM4ECYP3A4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5318969-A Hypotensive, vasodilating action and muscle relaxants YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1994-06-07 US disclosed
US-5143936-A Benzopyran compound and its pharmaceutical use YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1992-09-01 US disclosed
US-5021432-A Hypotensive agents YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1991-06-04 US disclosed
EP-0339562-A1 Benzopyran compound and its pharmaceutical use YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1989-11-02 EP disclosed