SCHEMBL9628232

SCHEMBL9628232

CCN(CCc1ccc([N+](=O)[O-])cc1)CCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.76

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 9/20 0.76
TSHR P16473 1/20 0.55
SIGMAR1 Q99720 1/20 0.51
ATM Q13315 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
KCNJ1 P48048 1/20 0.49
LOXL2 Q9Y4K0 1/20 0.48
CDC25C P30307 1/20 0.47
HRH3 Q9Y5N1 1/20 0.46

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
SCHEMBL3157762 0.96 KCNH2 (0.71) KCNH2TSHRSIGMAR1ATML3MBTL1
SCHEMBL6778459 0.86 KCNH2 (0.76) KCNH2TSHRATML3MBTL1KCNJ1
SCHEMBL17539702 0.86 CYP1A2 (0.62) KCNH2
SCHEMBL11244131 0.85 KCNH2 (0.84) KCNH2TSHRKCNJ1
SCHEMBL5632454 0.85 KCNH2 (0.83) KCNH2TSHRATML3MBTL1KCNJ1
SCHEMBL3156935 0.83 KCNH2 (0.57) KCNH2TSHRSIGMAR1CDC25CHRH3
SCHEMBL6369107 0.83 KCNH2 (1.00) KCNH2TSHR
SCHEMBL11223279 0.83 KCNH2 (1.00) KCNH2TSHR
SCHEMBL11230222 0.83 KCNH2 (1.00) KCNH2TSHR
SCHEMBL8780932 0.83 KCNH2 (0.56) KCNH2TSHRSIGMAR1KCNJ1LOXL2

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