SCHEMBL9628334

SCHEMBL9628334

CC(COc1ccc([N+](=O)[O-])cc1)N(C)CCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 10/20 0.62
ALDH1A1 P00352 2/20 0.50
GAA P10253 2/20 0.49
MAPT P10636 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
MAOB P27338 1/20 0.44

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
SCHEMBL7701167 0.84 KCNH2 (0.47) KCNH2SIGMAR1
SCHEMBL7698428 0.84 KCNH2 (0.47) KCNH2SIGMAR1
SCHEMBL7698432 0.84 KCNH2 (0.47) KCNH2SIGMAR1
SCHEMBL7699391 0.83 KCNH2 (0.46) KCNH2ALDH1A1MAPTSIGMAR1
Hydrochloric Acid SCHEMBL7701713 0.83 KCNH2 (0.46) KCNH2SIGMAR1
Hydrochloric Acid SCHEMBL7697786 0.82 KCNH2 (0.46) KCNH2ALDH1A1MAPTSIGMAR1
SCHEMBL6182355 0.82 GAA (0.57) KCNH2ALDH1A1GAAMAPT
SCHEMBL6182354 0.82 GAA (0.57) KCNH2ALDH1A1GAAMAPT
SCHEMBL3929250 0.77 KCNH2 (1.00) KCNH2GAASIGMAR1
SCHEMBL10643494 0.75 GAA (0.58) KCNH2ALDH1A1GAAMAPTMAOB

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