SCHEMBL6572877

SCHEMBL6572877

COc1ccc(CCN(C)CCOc2ccc([N+](=O)[O-])cc2NC(C)=O)cc1OC

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.54
MEN1 O00255 7/20 0.49
KMT2A Q03164 7/20 0.49
MAPT P10636 4/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
ALDH1A1 P00352 3/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
BLM P54132 2/20 0.48
LMNA P02545 2/20 0.48
HTT P42858 2/20 0.48
POLB P06746 2/20 0.48
MAPK1 P28482 1/20 0.48
PMP22 Q01453 1/20 0.48
CDC25C P30307 1/20 0.48
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47

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
SCHEMBL6575856 0.84 KCNH2 (0.56) KCNH2MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL6575943 0.83 CYP1A2 (0.56) KCNH2MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL24900403 0.83 SMN1; SMN2 (0.52) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL6571816 0.82 BLM (0.57) KCNH2MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL6574454 0.82 MAPT (0.60) KCNH2KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL6571843 0.82 CYP1A2 (0.55) KCNH2MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL6573041 0.82 CYP1A2 (0.55) KCNH2MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL30957607 0.81 SMN1; SMN2 (0.52) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL24900749 0.81 SMN1; SMN2 (0.52) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL6573751 0.81 BLM (0.56) KCNH2MEN1KMT2AMAPTSMN1; SMN2

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