SCHEMBL7702574

SCHEMBL7702574

Cc1ccccc1OCCN(C)CCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 10/20 0.69
SIGMAR1 Q99720 1/20 0.50
CDC25C P30307 3/20 0.47
MAPT P10636 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 1/20 0.47
GLA P06280 1/20 0.47
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
PKM P14618 1/20 0.44
CYP19A1 P11511 1/20 0.44

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
Hydrochloric Acid SCHEMBL7705362 0.99 KCNH2 (0.67) KCNH2SIGMAR1CDC25CMAPTMEN1
SCHEMBL7705321 0.86 KCNH2 (0.70) KCNH2SIGMAR1CDC25CMEN1KMT2A
Hydrochloric Acid SCHEMBL7703032 0.85 KCNH2 (0.69) KCNH2SIGMAR1CDC25CMEN1KMT2A
SCHEMBL10721556 0.83 KCNH2 (0.62) KCNH2SIGMAR1CDC25CMAPTMEN1
SCHEMBL3929250 0.82 KCNH2 (1.00) KCNH2SIGMAR1CDC25C
SCHEMBL7698337 0.81 KCNH2 (0.51) KCNH2SIGMAR1ALDH1A1
SCHEMBL8217379 0.80 KCNH2 (0.49) KCNH2SIGMAR1CDC25CMEN1KMT2A
SCHEMBL7699391 0.80 KCNH2 (0.46) KCNH2SIGMAR1CDC25CMAPTMEN1
SCHEMBL9628028 0.80 KCNH2 (0.74) KCNH2SIGMAR1CDC25CMEN1KMT2A
Hydrochloric Acid SCHEMBL7697786 0.79 KCNH2 (0.46) KCNH2SIGMAR1CDC25CMAPTMEN1

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-1037871-B1 NOVEL ANTIARRHYTHMIC COMPOUNDS GYOGYSZERKUTATO INTEZET (HU) 2002-07-03 EP disclosed
US-6265445-B1 CARDIOVASCULAR DISORDERS GYOGYSZERKUTATO INTEZET KFT (HU) 2001-07-24 US disclosed
EP-1037871-A1 NOVEL ANTIARRHYTHMIC COMPOUNDS GYOGYSZERKUTATO INTEZET KFT. (HU) 2000-09-27 EP disclosed
WO-1999029655-A1 NOVEL ANTIARRHYTHMIC COMPOUNDS Gyógyszerkutató Intézet Kft. (HU) 1999-06-17 WO disclosed