SCHEMBL6938103

SCHEMBL6938103

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

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNE1 P15382 17/20 0.55
KCNQ1 P51787 17/20 0.55
KCNH2 Q12809 1/20 0.49
CYP3A4 P08684 2/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
KCND3 Q9UK17 1/20 0.40
KDM4E B2RXH2 2/20 0.40
ALOX15 P16050 1/20 0.38
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 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
SCHEMBL6938105 1.00 KCNE1 (0.55) KCNE1KCNQ1KCNH2CYP3A4MEN1
SCHEMBL6934962 0.84 KCNE1 (0.75) KCNE1KCNQ1KCNH2CYP3A4MEN1
SCHEMBL6935077 0.82 KCNE1 (0.78) KCNE1KCNQ1KCNH2CYP3A4MEN1
SCHEMBL6935075 0.82 KCNE1 (0.78) KCNE1KCNQ1KCNH2CYP3A4MEN1
SCHEMBL6935190 0.82 KCNE1 (0.79) KCNE1KCNQ1KCNH2CYP3A4ALOX15
SCHEMBL6935186 0.82 KCNE1 (0.79) KCNE1KCNQ1KCNH2CYP3A4ALOX15
SCHEMBL6932421 0.80 KCNE1 (0.80) KCNE1KCNQ1KCNH2CYP3A4MEN1
SCHEMBL6932423 0.80 KCNE1 (0.80) KCNE1KCNQ1KCNH2CYP3A4MEN1
SCHEMBL8074810 0.71 KCNE1 (0.52) KCNE1KCNQ1KCNH2CYP3A4MEN1
SCHEMBL6602008 0.71 KCNE1 (0.44) 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 2 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
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