SCHEMBL6936617

SCHEMBL6936617

CCCCOc1ccc2c(c1)C(N(C)S(C)(=O)=O)CC2(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNE1 P15382 6/20 0.53
KCNQ1 P51787 6/20 0.53
KCNH2 Q12809 1/20 0.42
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
THRA P10827 5/20 0.40
THRB P10828 4/20 0.40
LMNA P02545 2/20 0.38
HTT P42858 1/20 0.37
TSHR P16473 2/20 0.36
MAPK1 P28482 1/20 0.36
RECQL P46063 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
MMP1 P03956 1/20 0.35
MMP3 P08254 1/20 0.35
MMP7 P09237 1/20 0.35

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
SCHEMBL6932420 0.87 KCNE1 (0.45) KCNE1KCNQ1KCNH2HTR2AHTR2C
SCHEMBL6935178 0.78 NPC1 (0.44) KCNE1KCNQ1HTR2AHTR2CNPC1
SCHEMBL6936603 0.75 LTA4H (0.38) KCNE1KCNQ1KCNH2HTR2ANPC1
SCHEMBL6932454 0.73 KCNE1 (0.33) KCNE1KCNQ1HTR2AHTR2C
SCHEMBL6602317 0.73 KCNE1 (0.54) KCNE1KCNQ1KCNH2
SCHEMBL6932849 0.71 KCNE1 (0.45) KCNE1KCNQ1
SCHEMBL7472274 0.68 KCNE1 (0.53) KCNE1KCNQ1KCNH2THRATHRB
SCHEMBL6935075 0.67 KCNE1 (0.78) KCNE1KCNQ1KCNH2THRATHRB
SCHEMBL6932248 0.65 KCNE1 (1.00) KCNE1KCNQ1KCNH2
SCHEMBL26029578 0.64 HRH3 (0.58) HTR2AHTR2CNPC1RAB9ATSHR

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