SCHEMBL6932409

SCHEMBL6932409

CN(C1c2cc(OCc3ccccc3)ccc2OC(C)(C)C1O)S(C)(=O)=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNE1 P15382 17/20 1.00
KCNQ1 P51787 17/20 1.00
KCNH2 Q12809 1/20 0.67
CYP3A4 P08684 2/20 0.48
ALOX15 P16050 1/20 0.48
MEN1 O00255 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
KMT2A Q03164 1/20 0.48
KCND3 Q9UK17 1/20 0.48
HIF1A Q16665 2/20 0.44

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
SCHEMBL6932410 1.00 KCNE1 (1.00) KCNE1KCNQ1KCNH2CYP3A4ALOX15
SCHEMBL6935186 0.88 KCNE1 (0.79) KCNE1KCNQ1KCNH2CYP3A4ALOX15
SCHEMBL6935190 0.88 KCNE1 (0.79) KCNE1KCNQ1KCNH2CYP3A4ALOX15
SCHEMBL6932449 0.88 KCNE1 (0.79) KCNE1KCNQ1KCNH2CYP3A4ALOX15
SCHEMBL6932451 0.88 KCNE1 (0.79) KCNE1KCNQ1KCNH2CYP3A4ALOX15
SCHEMBL8479087 0.86 KCNE1 (0.76) KCNE1KCNQ1KCNH2CYP3A4ALOX15
SCHEMBL6930493 0.85 KCNE1 (0.73) KCNE1KCNQ1KCNH2CYP3A4ALOX15
SCHEMBL6930496 0.85 KCNE1 (0.73) KCNE1KCNQ1KCNH2CYP3A4ALOX15
SCHEMBL6935433 0.84 KCNE1 (1.00) KCNE1KCNQ1KCNH2CYP3A4MEN1
SCHEMBL6932248 0.84 KCNE1 (1.00) KCNE1KCNQ1KCNH2CYP3A4MEN1

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