SCHEMBL7464216

SCHEMBL7464216

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

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNE1 P15382 17/20 0.69
KCNQ1 P51787 17/20 0.69
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 1/20 0.44
KCND3 Q9UK17 1/20 0.44
KCNH2 Q12809 1/20 0.44
KDM4E B2RXH2 1/20 0.40
ABCB1 P08183 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
SCHEMBL7467762 0.89 KCNE1 (0.68) KCNE1KCNQ1MEN1CYP1A2CYP3A4
SCHEMBL8476662 0.79 KCNE1 (0.55) KCNE1KCNQ1MEN1KMT2A
SCHEMBL8479300 0.78 KCNE1 (0.71) KCNE1KCNQ1MEN1CYP1A2CYP3A4
SCHEMBL9398509 0.73 KDM4E (0.68) KCNE1KCNQ1MEN1CYP1A2CYP3A4
SCHEMBL7464213 0.73 KCNE1 (0.52) KCNE1KCNQ1MEN1CYP1A2CYP3A4
SCHEMBL8482997 0.70 KCNE1 (0.56) KCNE1KCNQ1KCNH2
SCHEMBL8479087 0.70 KCNE1 (0.76) KCNE1KCNQ1CYP3A4KCNH2ABCB1
SCHEMBL9397745 0.70 KCNE1 (0.59) KCNE1KCNQ1CYP3A4KDM4E
SCHEMBL9397763 0.70 KCNE1 (0.59) KCNE1KCNQ1CYP3A4KDM4E
SCHEMBL9397756 0.70 KCNE1 (0.59) KCNE1KCNQ1CYP3A4KDM4E

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-0905131-B1 Sulfonamid-substituted chromans, process for their preparation, their use as medicine, and pharmaceutical preparation containing them AVENTIS PHARMA GMBH (DE) 2002-04-10 EP disclosed
US-5955607-A TREATING CARDIOVASCULAR AND GASTROINTESTINAL DISORDERS HOECHST MARION ROUSSEL DEUTSCHLAND (DE) 1999-09-21 US disclosed
EP-0905131-A1 Sulfonamid-substituted chromans, process for their preparation, their use as medicine, and pharmaceutical preparation containing them Hoechst Marion Roussel Deutschland GmbH (DE) 1999-03-31 EP disclosed