SCHEMBL6572919

SCHEMBL6572919

CN(CCOc1ccc([N+](=O)[O-])cc1-n1cccc1)CCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 10/20 0.61
SIGMAR1 Q99720 2/20 0.47
CDC25C P30307 3/20 0.43
MEN1 O00255 1/20 0.43
THRB P10828 1/20 0.43
APEX1 P27695 1/20 0.43
RECQL P46063 1/20 0.43
BLM P54132 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CHRNB2 P17787 1/20 0.43
CHRNA4 P43681 1/20 0.43
CYP19A1 P11511 1/20 0.42
PKM P14618 1/20 0.40

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
SCHEMBL6574500 0.91 KCNH2 (0.50) KCNH2SIGMAR1CDC25CBLM
SCHEMBL6574247 0.79 SIGMAR1 (0.42) KCNH2SIGMAR1MEN1BLMKMT2A
SCHEMBL6574086 0.79 POLB (0.43) KCNH2MEN1KMT2A
SCHEMBL26239269 0.78 KCNH2 (0.63) KCNH2SIGMAR1CDC25CMEN1THRB
SCHEMBL7702574 0.78 KCNH2 (0.69) KCNH2SIGMAR1CDC25CMEN1THRB
SCHEMBL6572322 0.77 MAPT (0.41) RECQLKMT2ATDP1CHRNB2CHRNA4
SCHEMBL26239253 0.77 KCNH2 (0.61) KCNH2SIGMAR1CDC25CMEN1THRB
Hydrochloric Acid SCHEMBL7705362 0.77 KCNH2 (0.67) KCNH2SIGMAR1CDC25CMEN1THRB
SCHEMBL3929250 0.76 KCNH2 (1.00) KCNH2SIGMAR1CDC25C
SCHEMBL6572758 0.75 KCNH2 (0.62) KCNH2KMT2A

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-0775689-B9 NOVEL AMINE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF AS ANTIARRHYTHMIC C & C RES LABS (KR) 2004-09-15 EP disclosed
EP-0775689-B1 NOVEL AMINE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF AS ANTIARRHYTHMIC C & C RES LABS (KR) 2003-09-03 EP disclosed
US-6057358-A POTASSIUM CHANNEL BLOCKING ANTIARRHYTHMIC DRUGS WITH LESS SIDE EFFECTS C&C RESEARCH LABS. (KR) 2000-05-02 US disclosed
EP-0775689-A1 NOVEL AMINE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF AS ANTIARRHYTHMIC C & C RESEARCH LABS. (KR) 1997-05-28 EP disclosed