SCHEMBL3400419

SCHEMBL3400419

COc1ccc(COc2cn[c]cc2C#C[Si](C)(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
APP P05067 7/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MAOB P27338 1/20 0.40
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ABCB1 P08183 1/20 0.37
FFAR1 O14842 1/20 0.36

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
SCHEMBL6813969 0.78 NPC1 (0.55) APPNPC1RAB9AMAOBABCB1
SCHEMBL23039635 0.76 NPC1 (0.43) APPNPC1RAB9AMAOBPOLB
SCHEMBL31533131 0.76 NPC1 (0.40) APPNPC1RAB9AMAOBPOLB
SCHEMBL3141877 0.76 ABCB1 (0.53) APPNPC1RAB9AMAOBPOLB
SCHEMBL3846332 0.74 NPC1 (0.39) APPNPC1RAB9AMAOBPOLB
SCHEMBL17141565 0.74 APP (0.46) APPNPC1RAB9AMAOBPOLB
SCHEMBL3587465 0.71 FFAR1 (0.51) NPC1RAB9APOLBSMN1; SMN2FFAR1
SCHEMBL3587460 0.71 NPC1 (0.39) NPC1RAB9APOLBSMN1; SMN2FFAR1
SCHEMBL9479790 0.68 APP (0.53) APPNPC1RAB9AMAOBPOLB
SCHEMBL9480278 0.68 APP (0.53) APPNPC1RAB9AMAOBPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2136807-B1 PYRROLO (3, 2, 1-IJ) QUINOLINE-4-ONE DERIVATIVES FOR TREATING TUBERCULOSIS GLAXO GROUP LTD (GB) 2010-11-03 EP disclosed
EP-2137195-A1 TRICYCLIC NITROGEN CONTAINING HETEROCYCLES AS ANTIBACTERIAL AGENTS Glaxo Group Limited (GB) 2009-12-30 EP disclosed
EP-2136807-A1 PYRROLO (3, 2, 1-IJ) QUINOLINE-4-ONE DERIVATIVES FOR TREATING TUBERCULOSIS Glaxo Group Limited (GB) 2009-12-30 EP disclosed
EP-2044077-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES Glaxo Group Limited (GB) 2009-04-08 EP disclosed
WO-2008128953-A1 TRICYCLIC NITROGEN CONTAINING HETEROCYCLES AS ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2008-10-30 WO disclosed
WO-2008125594-A1 PYRROLO (3, 2, 1-IJ) QUINOLINE-4-ONE DERIVATIVES FOR TREATING TUBERCULOSIS GLAXO GROUP LIMITED (GB) 2008-10-23 WO disclosed
EP-1954697-A2 PERI CONDENSED TRICYCLIC COMPOUNDS USEFUL AS ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2008-08-13 EP disclosed
WO-2008009700-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES GLAXO GROUP LIMITED (GB) 2008-01-24 WO disclosed
WO-2007081597-A2 PERI CONDENSED TRICYCLIC COMPOUNDS USEFUL AS ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2007-07-19 WO disclosed