SCHEMBL9200749

SCHEMBL9200749

CC1(C)Oc2ccc(S(C)(=O)=O)cc2C(N)C1O

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNE1 P15382 12/20 0.45
KCNQ1 P51787 12/20 0.45
ABCC9 O60706 7/20 0.40
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
KCND3 Q9UK17 1/20 0.39
KCNA5 P22460 1/20 0.39
KCNH2 Q12809 1/20 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
SCHEMBL9200746 1.00 KCNE1 (0.45) KCNE1KCNQ1ABCC9MEN1CYP1A2
SCHEMBL9200759 1.00 KCNE1 (0.45) KCNE1KCNQ1ABCC9MEN1CYP1A2
SCHEMBL9200412 0.85 KCNE1 (0.45) KCNE1KCNQ1ABCC9MEN1CYP1A2
SCHEMBL9200392 0.85 KCNE1 (0.45) KCNE1KCNQ1ABCC9MEN1CYP1A2
SCHEMBL9200400 0.85 KCNE1 (0.45) KCNE1KCNQ1ABCC9MEN1CYP1A2
SCHEMBL9475562 0.84 ALDH1A1 (0.43) KCNE1KCNQ1ABCC9MEN1CYP1A2
SCHEMBL9205841 0.84 ABCC9 (0.54) KCNE1KCNQ1ABCC9KCNA5
SCHEMBL9200860 0.84 ABCC9 (0.54) KCNE1KCNQ1ABCC9KCNA5
SCHEMBL9475581 0.84 ALDH1A1 (0.43) KCNE1KCNQ1ABCC9MEN1CYP1A2
SCHEMBL9475568 0.84 ALDH1A1 (0.43) KCNE1KCNQ1ABCC9MEN1CYP1A2

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-0389861-B1 Benzopyran derivatives and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO (JP) 1995-08-23 EP disclosed
US-5104890-A Potassium channel activtors; vasodilators FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1992-04-14 US disclosed
EP-0389861-A1 Benzopyran derivatives and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-10-03 EP disclosed