SCHEMBL9629006

SCHEMBL9629006

CC(CN(C)CCc1ccc([N+](=O)[O-])cc1)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 10/20 0.62
SIGMAR1 Q99720 1/20 0.50
CDC25C P30307 3/20 0.46
HTR2A P28223 1/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
THRB P10828 1/20 0.45
APEX1 P27695 1/20 0.45
RECQL P46063 1/20 0.45
BLM P54132 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
KCNJ1 P48048 1/20 0.43

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
SCHEMBL8213354 0.84 KCNH2 (0.50) KCNH2SIGMAR1CDC25CKMT2AMEN1
SCHEMBL8217379 0.83 KCNH2 (0.49) KCNH2SIGMAR1CDC25CKMT2AMEN1
SCHEMBL6182358 0.82 GAA (0.47) KCNH2HTR2AKMT2AMEN1TDP1
SCHEMBL9628784 0.81 KCNH2 (0.57) KCNH2SIGMAR1CDC25CKMT2AMEN1
SCHEMBL9629140 0.81 KCNH2 (0.57) KCNH2SIGMAR1CDC25CKMT2AMEN1
SCHEMBL9628028 0.80 KCNH2 (0.74) KCNH2SIGMAR1CDC25CKMT2AMEN1
SCHEMBL3929250 0.77 KCNH2 (1.00) KCNH2SIGMAR1CDC25C
SCHEMBL3143117 0.75 KCNH2 (0.64) KCNH2SIGMAR1CDC25CKMT2AMEN1
SCHEMBL13897015 0.74 KCNH2 (0.72) KCNH2SIGMAR1CDC25CKMT2AMEN1
SCHEMBL9628334 0.74 KCNH2 (0.62) KCNH2SIGMAR1

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