SCHEMBL3141877

SCHEMBL3141877

COc1ccc(COc2cn[c]cc2OCc2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.53
BCHE P06276 3/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
MAOB P27338 1/20 0.48
LTA4H P09960 1/20 0.46
APP P05067 3/20 0.45
PDGFRB P09619 1/20 0.45
PDGFRA P16234 1/20 0.45
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 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
SCHEMBL791985 0.77 MAOB (0.69) ABCB1BCHEMEN1KMT2ANPC1
SCHEMBL3400419 0.76 APP (0.40) ABCB1NPC1RAB9AMAOBAPP
SCHEMBL16018989 0.75 ABCB1 (0.68) ABCB1NPC1RAB9AMAOBLTA4H
SCHEMBL553770 0.75 APP (0.69) ABCB1BCHEMEN1KMT2ANPC1
SCHEMBL3365588 0.75 LMNA (0.47) MEN1KMT2AMAOBLTA4HAPP
SCHEMBL972779 0.75 MAPK14 (0.43) RAB9AMAOBLTA4HSMN1; SMN2
SCHEMBL9479747 0.75 MAPT (0.42) ABCB1NPC1RAB9AMAOBLTA4H
SCHEMBL9479790 0.73 APP (0.53) NPC1RAB9AMAOBAPPPOLB
SCHEMBL9480278 0.73 APP (0.53) NPC1RAB9AMAOBAPPPOLB
Benzylphenylether SCHEMBL28164613 0.73 MAOB (0.75) ABCB1BCHEMEN1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3182973-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS FOR TREATING NEISSERIA GONORRHOEA INFECTION GlaxoSmithKline Intellectual Property Development Limited (GB) 2017-06-28 EP disclosed
WO-2016027249-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS FOR TREATING NEISSERIA GONORRHOEA INFECTION GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2016-02-25 WO disclosed
EP-2167196-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS Glaxo Group Limited (GB) 2010-03-31 EP disclosed
EP-1954697-B1 PERI CONDENSED TRICYCLIC COMPOUNDS USEFUL AS ANTIBACTERIAL AGENTS GLAXO GROUP LTD (GB) 2010-02-24 EP disclosed
EP-2137196-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS AS ANTIBACTERIAL AGENTS Glaxo Group Limited (GB) 2009-12-30 EP disclosed
WO-2009000745-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS GLAXO GROUP LIMITED (GB) 2008-12-31 WO disclosed
WO-2008128942-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS AS ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2008-10-30 WO disclosed
EP-1963324-A1 HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR USE AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2008-09-03 EP disclosed
EP-1954697-A2 PERI CONDENSED TRICYCLIC COMPOUNDS USEFUL AS ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2008-08-13 EP disclosed
WO-2007081597-A2 PERI CONDENSED TRICYCLIC COMPOUNDS USEFUL AS ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2007-07-19 WO disclosed
WO-2007071936-A1 HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR USE AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2007-06-28 WO disclosed