SCHEMBL6932849

SCHEMBL6932849

CCS(=O)(=O)N(C)C1CC(C)(C)c2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNE1 P15382 9/20 0.45
KCNQ1 P51787 9/20 0.45
USP2 O75604 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
KCND3 Q9UK17 1/20 0.32
CNR2 P34972 1/20 0.32

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
SCHEMBL6932454 0.85 KCNE1 (0.33) KCNE1KCNQ1CNR2
SCHEMBL6559524 0.76 KCNE1 (0.57) KCNE1KCNQ1MEN1CYP1A2CYP3A4
SCHEMBL6932378 0.75 CNR2 (0.37) CNR2
SCHEMBL6932031 0.70 MAOA (0.52)
SCHEMBL6936636 0.69 TRPV1 (0.38) MEN1KMT2ACNR2
SCHEMBL19210033 0.68 CYSLTR2 (0.41) CNR2
SCHEMBL8173197 0.68 HTT (0.56)
SCHEMBL30839578 0.67 HTR2A (0.39) HSD17B10MEN1CYP3A4CYP2D6CYP2C19
SCHEMBL11524465 0.67 HTR2A (0.39) HSD17B10MEN1CYP3A4CYP2D6CYP2C19
SCHEMBL30886993 0.67 HTR2A (0.39) HSD17B10MEN1CYP3A4CYP2D6CYP2C19

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-0915087-B1 Sulfonamide substituted fused five-membered ring compounds, their use as medicaments as well as pharmaceutical compositions containing them AVENTIS PHARMA GMBH (DE) 2003-04-02 EP disclosed
US-6015822-A ANTIULCER, ANTIDIARRHEA, AND ANTIARRHYTHMIA AGENTS; CARDIOVASCULAR AND GASTROINTESTINAL DISORDERS HOECHST MARION ROUSSEL DEUTSCHLAND GMBH (DE) 2000-01-18 US disclosed
EP-0915087-A2 Sulfonamide substituted fused five-membered ring compounds, their use as medicaments as well as pharmaceutical compositions containing them Hoechst Marion Roussel Deutschland GmbH (DE) 1999-05-12 EP disclosed