SCHEMBL7467762

SCHEMBL7467762

CC1(C)Oc2ccc(Cl)cc2C(N(CC(=O)O)S(C)(=O)=O)C1O

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNE1 P15382 16/20 0.68
KCNQ1 P51787 16/20 0.68
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
KCND3 Q9UK17 1/20 0.43
KCNH2 Q12809 1/20 0.43
KDM4E B2RXH2 1/20 0.41
KCNA5 P22460 3/20 0.41

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
SCHEMBL7464216 0.89 KCNE1 (0.69) KCNE1KCNQ1MEN1CYP1A2CYP3A4
SCHEMBL8476662 0.83 KCNE1 (0.55) KCNE1KCNQ1MEN1KMT2AKCNA5
SCHEMBL8479087 0.80 KCNE1 (0.76) KCNE1KCNQ1CYP3A4KCNH2KCNA5
SCHEMBL8479300 0.80 KCNE1 (0.71) KCNE1KCNQ1MEN1CYP1A2CYP3A4
SCHEMBL9398509 0.75 KDM4E (0.68) KCNE1KCNQ1MEN1CYP1A2CYP3A4
SCHEMBL9397745 0.71 KCNE1 (0.59) KCNE1KCNQ1CYP3A4KDM4E
SCHEMBL9397763 0.71 KCNE1 (0.59) KCNE1KCNQ1CYP3A4KDM4E
SCHEMBL9397756 0.71 KCNE1 (0.59) KCNE1KCNQ1CYP3A4KDM4E
SCHEMBL8613564 0.71 ABCC8 (0.68) KCNE1KCNQ1MEN1CYP1A2CYP3A4
SCHEMBL9229335 0.71 ABCC8 (0.68) KCNE1KCNQ1MEN1CYP1A2CYP3A4

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