SCHEMBL6935186

SCHEMBL6935186

CC(=O)OC1C(N(C)S(C)(=O)=O)c2cc(OCc3ccccc3)ccc2OC1(C)C

nearest known ligand 0.79

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNE1 P15382 9/20 0.79
KCNQ1 P51787 9/20 0.79
KCNH2 Q12809 1/20 0.53
CYP3A4 P08684 1/20 0.46
ALOX15 P16050 1/20 0.46
MAOB P27338 2/20 0.42
ALOX5 P09917 1/20 0.41
HIF1A Q16665 3/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LTB4R Q15722 2/20 0.39
LTB4R2 Q9NPC1 2/20 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
SCHEMBL6935190 1.00 KCNE1 (0.79) KCNE1KCNQ1KCNH2CYP3A4ALOX15
SCHEMBL6932449 0.90 KCNE1 (0.79) KCNE1KCNQ1KCNH2CYP3A4ALOX15
SCHEMBL6932451 0.90 KCNE1 (0.79) KCNE1KCNQ1KCNH2CYP3A4ALOX15
SCHEMBL6932409 0.88 KCNE1 (1.00) KCNE1KCNQ1KCNH2CYP3A4ALOX15
SCHEMBL6932410 0.88 KCNE1 (1.00) KCNE1KCNQ1KCNH2CYP3A4ALOX15
SCHEMBL6935077 0.85 KCNE1 (0.78) KCNE1KCNQ1KCNH2CYP3A4
SCHEMBL6935075 0.85 KCNE1 (0.78) KCNE1KCNQ1KCNH2CYP3A4
SCHEMBL6938105 0.82 KCNE1 (0.55) KCNE1KCNQ1KCNH2CYP3A4ALOX15
SCHEMBL6938103 0.82 KCNE1 (0.55) KCNE1KCNQ1KCNH2CYP3A4ALOX15
SCHEMBL6932421 0.81 KCNE1 (0.80) KCNE1KCNQ1KCNH2CYP3A4

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