SCHEMBL9628026

SCHEMBL9628026

CN(CCc1ccc(NS(C)(=O)=O)cc1)CCc1ccc(NS(C)(=O)=O)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.76
CACNA1F O60840 1/20 0.76
CHRM2 P08172 1/20 0.76
ACHE P22303 1/20 0.76
AGTR1 P30556 1/20 0.76
DRD3 P35462 1/20 0.76
CACNA1D Q01668 1/20 0.76
CACNA1S Q13698 1/20 0.76
CACNA1C Q13936 1/20 0.76
HPGD P15428 4/20 0.61
KDM4E B2RXH2 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
ALDH1A1 P00352 1/20 0.61
LMNA P02545 1/20 0.61
HTT P42858 1/20 0.61
CYP2C9 P11712 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
MAPK1 P28482 1/20 0.49

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
SCHEMBL9826819 0.92 KCNH2 (0.67) KCNH2CACNA1FCHRM2ACHEAGTR1
SCHEMBL9080508 0.89 CACNA1F (0.62) KCNH2CACNA1FCHRM2ACHEAGTR1
Dofetilide SCHEMBL16135 0.87 KCNH2 (1.00) KCNH2CACNA1FCHRM2ACHEAGTR1
SCHEMBL9628884 0.87 KCNH2 (0.64) KCNH2CACNA1FCHRM2ACHEAGTR1
Dofetilide SCHEMBL6102734 0.87 KCNH2 (1.00) KCNH2CACNA1FCHRM2ACHEAGTR1
SCHEMBL9080505 0.86 KCNH2 (0.59) KCNH2CACNA1FCHRM2ACHEAGTR1
SCHEMBL9384829 0.86 KCNH2 (0.60) KCNH2CACNA1FCHRM2ACHEAGTR1
Dofetilide SCHEMBL8362214 0.86 KCNH2 (0.97) KCNH2CACNA1FCHRM2ACHEAGTR1
SCHEMBL8781733 0.85 KCNH2 (0.72) KCNH2CACNA1FCHRM2ACHEAGTR1
SCHEMBL9826588 0.84 CACNA1F (0.57) KCNH2CACNA1FCHRM2ACHEAGTR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0245997-B1 N-SUBSTITUTED P-AMINOETHYLSULPHON ANILIDES AS ANTIARRHYTHMIC AGENTS, AND INTERMEDIATES THEREFOR Pfizer Limited (GB) 1992-04-15 EP disclosed
US-5079248-A Antifibrillatory agents; side effect reduction PFIZER INC. (US) 1992-01-07 US disclosed
US-4959366-A Anti-arrhythmic agents PFIZER INC. (US) 1990-09-25 US disclosed
EP-0245997-A2 N-substituted p-aminoethylsulphon anilides as antiarrhythmic agents, and intermediates therefor Pfizer Limited (GB) 1987-11-19 EP disclosed