SCHEMBL7556196

SCHEMBL7556196

CCOC(=O)Nc1ccc(OC)cc1[N+](=O)[O-]

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.67
MEN1 O00255 6/20 0.66
KMT2A Q03164 6/20 0.66
MAPT P10636 9/20 0.65
LMNA P02545 1/20 0.65
RAB9A P51151 7/20 0.63
NPC1 O15118 6/20 0.63
MAPK1 P28482 2/20 0.63
CYP2C19 P33261 2/20 0.61
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2D6 P10635 1/20 0.61
ALDH1A1 P00352 4/20 0.60
POLB P06746 1/20 0.58

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
SCHEMBL4812667 0.87 MAPT (0.69) SMN1; SMN2MEN1KMT2AMAPTLMNA
SCHEMBL6004947 0.86 CYP1A2 (0.65) SMN1; SMN2KMT2AMAPTLMNARAB9A
SCHEMBL978809 0.85 RAB9A (0.73) SMN1; SMN2MEN1KMT2AMAPTLMNA
SCHEMBL978808 0.85 RAB9A (0.73) SMN1; SMN2MEN1KMT2AMAPTLMNA
SCHEMBL6004332 0.84 ALDH1A1 (0.54) SMN1; SMN2MEN1KMT2AMAPTLMNA
SCHEMBL11159531 0.84 MAPT (0.62) SMN1; SMN2KMT2AMAPTLMNARAB9A
SCHEMBL2553087 0.83 KMT2A (0.56) SMN1; SMN2MEN1KMT2AMAPTLMNA
SCHEMBL4993342 0.83 KMT2A (0.56) SMN1; SMN2KMT2AMAPTLMNARAB9A
SCHEMBL9368595 0.83 MEN1 (0.67) SMN1; SMN2MEN1KMT2AMAPTLMNA
SCHEMBL3359357 0.82 LMNA (0.70) SMN1; SMN2MEN1KMT2AMAPTLMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1218352-A1 BENZIMIDAZOLONE DERIVATIVES HAVING MIXED SEROTONINE AND DOPAMINE RECEPTORS AFFINITY BOEHRINGER INGELHEIM ITALIA S.p.A. (IT) 2002-07-03 EP disclosed
US-6281218-B1 USEFUL IN THE TREATMENT OF CNS DISORDERS. INGELHEIM ITALIA S.P.A. (IT) 2001-08-28 US disclosed
WO-2001021593-A1 NEW BENZIMIDAZOLONE DERIVATIVES HAVING MIXED SEROTONINE AND DOPAMINE RECEPTORS AFFINITY BOEHRINGER INGELHEIM ITALIA S.P.A. (IT) 2001-03-29 WO disclosed