SCHEMBL6931989

SCHEMBL6931989

CC1(C)Oc2ccc(OCCCC(F)(F)F)cc2C(NS(C)(=O)=O)C1O

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNE1 P15382 8/20 0.68
KCNQ1 P51787 8/20 0.68
KCNH2 Q12809 1/20 0.68
KCNA5 P22460 6/20 0.40
MAOB P27338 3/20 0.40
ABCC9 O60706 1/20 0.38
MGAT2 Q10469 1/20 0.38
ABCB1 P08183 1/20 0.38

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
SCHEMBL4622354 0.81 KCNE1 (1.00) KCNE1KCNQ1KCNH2MAOBABCB1
SCHEMBL4622356 0.81 KCNE1 (1.00) KCNE1KCNQ1KCNH2MAOBABCB1
SCHEMBL4623436 0.81 KCNE1 (1.00) KCNE1KCNQ1KCNH2MAOBABCB1
SCHEMBL29963612 0.81 KCNE1 (1.00) KCNE1KCNQ1KCNH2MAOBABCB1
SCHEMBL8483589 0.80 KCNE1 (0.64) KCNE1KCNQ1KCNH2MAOBMGAT2
SCHEMBL8483588 0.80 KCNE1 (0.64) KCNE1KCNQ1KCNH2MAOBMGAT2
SCHEMBL6938527 0.80 KCNE1 (0.79) KCNE1KCNQ1KCNH2MAOB
SCHEMBL8486301 0.80 KCNE1 (0.79) KCNE1KCNQ1KCNH2MAOB
SCHEMBL6938497 0.80 KCNE1 (0.79) KCNE1KCNQ1KCNH2KCNA5MAOB
SCHEMBL6938528 0.80 KCNE1 (0.79) KCNE1KCNQ1KCNH2MAOB

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