SCHEMBL6576043

SCHEMBL6576043

CC(=O)Nc1cc([N+](=O)[O-])ccc1OCCBr

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.54
CYP19A1 P11511 1/20 0.54
HTT P42858 1/20 0.53
MEN1 O00255 7/20 0.52
KMT2A Q03164 7/20 0.52
RAB9A P51151 1/20 0.52
ALDH1A1 P00352 1/20 0.49
MAPT P10636 3/20 0.49
POLB P06746 3/20 0.47
APAF1 O14727 1/20 0.47
GRK2 P25098 1/20 0.47
S100A4 P26447 1/20 0.47
CASP6 P55212 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
LMNA P02545 3/20 0.47
MAPK1 P28482 2/20 0.47
BLM P54132 1/20 0.47
HPGD P15428 1/20 0.46
GAA P10253 1/20 0.46
PKM P14618 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
SCHEMBL11414383 0.92 SMN1; SMN2 (0.59) SMN1; SMN2CYP19A1HTTMEN1KMT2A
SCHEMBL11418328 0.91 RAB9A (0.58) SMN1; SMN2CYP19A1HTTMEN1KMT2A
SCHEMBL11419008 0.91 RAB9A (0.58) SMN1; SMN2CYP19A1HTTMEN1KMT2A
SCHEMBL222384 0.88 SMN1; SMN2 (0.58) SMN1; SMN2CYP19A1HTTMEN1KMT2A
SCHEMBL11650456 0.88 TSHR (0.57) SMN1; SMN2CYP19A1HTTMEN1KMT2A
SCHEMBL11257538 0.87 SMN1; SMN2 (0.54) SMN1; SMN2CYP19A1HTTMEN1KMT2A
SCHEMBL10661602 0.87 SMN1; SMN2 (0.57) SMN1; SMN2CYP19A1HTTMEN1KMT2A
SCHEMBL3128740 0.87 MEN1 (0.58) SMN1; SMN2CYP19A1HTTMEN1KMT2A
SCHEMBL6151007 0.87 RAB9A (0.58) SMN1; SMN2CYP19A1HTTMEN1KMT2A
SCHEMBL11412235 0.87 SMN1; SMN2 (0.59) SMN1; SMN2CYP19A1HTTMEN1KMT2A

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