SCHEMBL6935862

SCHEMBL6935862

CN([C@H]1c2cc(OCC3CC3)ccc2OC(C)(C)[C@@H]1O)S(C)(=O)=O

nearest known ligand 0.74

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNE1 P15382 17/20 0.74
KCNQ1 P51787 17/20 0.74
KCNH2 Q12809 1/20 0.68
MEN1 O00255 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C19 P33261 1/20 0.51
KMT2A Q03164 1/20 0.51
KCND3 Q9UK17 1/20 0.51
ABCB1 P08183 2/20 0.41
KDM4E B2RXH2 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
SCHEMBL6935860 1.00 KCNE1 (0.74) KCNE1KCNQ1KCNH2MEN1CYP1A2
SCHEMBL6935866 1.00 KCNE1 (0.74) KCNE1KCNQ1KCNH2MEN1CYP1A2
SCHEMBL6938863 0.91 KCNE1 (0.71) KCNE1KCNQ1KCNH2MEN1CYP1A2
SCHEMBL6938866 0.91 KCNE1 (0.71) KCNE1KCNQ1KCNH2MEN1CYP1A2
SCHEMBL6938873 0.91 KCNE1 (0.71) KCNE1KCNQ1KCNH2MEN1CYP1A2
SCHEMBL6932248 0.85 KCNE1 (1.00) KCNE1KCNQ1KCNH2MEN1CYP1A2
SCHEMBL6935433 0.85 KCNE1 (1.00) KCNE1KCNQ1KCNH2MEN1CYP1A2
SCHEMBL6932256 0.85 KCNE1 (1.00) KCNE1KCNQ1KCNH2MEN1CYP1A2
SCHEMBL6932252 0.85 KCNE1 (1.00) KCNE1KCNQ1KCNH2MEN1CYP1A2
SCHEMBL6938824 0.82 KCNE1 (0.92) KCNE1KCNQ1KCNH2MEN1CYP1A2

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-0913396-B1 Sulphonamide substituted benzopyran derivatives, process of preparation, their use as medicines and pharmaceutical compositions containing them AVENTIS PHARMA GMBH (DE) 2003-09-17 EP disclosed
US-6008245-A TREATMENT OF PROPHYLAXIS AND CARDIOVASCULAR DISORDERS, IN PARTICULAR ARRHYTHMIAS, FOR THE TREATMENT OF ULCERS OF THE GASTROINTESTINAL DISORDERS, DIARRHEAL DISEASES HOECHST MARION ROUSSEL DEUTSCHLAND GMBH (DE) 1999-12-28 US disclosed
EP-0913396-A2 Sulphonamide substituted benzopyran derivatives, process of preparation, their use as medicines and pharmaceutical compositions containing them Hoechst Marion Roussel Deutschland GmbH (DE) 1999-05-06 EP disclosed