SCHEMBL3846332

SCHEMBL3846332

COc1ccc(COc2[c]nccc2C#C[Si](C)(C)C)cc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
APP P05067 7/20 0.38
MAOB P27338 1/20 0.38
PDE2A O00408 1/20 0.36
IDO1 P14902 2/20 0.36
AGXT P21549 2/20 0.36
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
FFAR1 O14842 1/20 0.34

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
SCHEMBL3400419 0.74 APP (0.40) NPC1RAB9AAPPMAOBPOLB
SCHEMBL6813969 0.74 NPC1 (0.55) NPC1RAB9AAPPMAOBLMNA
SCHEMBL17141565 0.72 APP (0.46) NPC1RAB9AAPPMAOBPDE2A
SCHEMBL23039635 0.72 NPC1 (0.43) NPC1RAB9AAPPMAOBPDE2A
SCHEMBL31533131 0.69 NPC1 (0.40) NPC1RAB9AAPPMAOBPDE2A
SCHEMBL9480278 0.66 APP (0.53) NPC1RAB9AAPPMAOBIDO1
SCHEMBL22610115 0.66 PDE2A (0.41) NPC1RAB9AAPPMAOBPDE2A
SCHEMBL24678411 0.65 IDO1 (0.45) MAOBIDO1AGXTPOLBSMN1; SMN2
SCHEMBL20000873 0.64 APP (0.80) NPC1RAB9AAPPMAOBIDO1
SCHEMBL20657625 0.63 APP (0.51) NPC1RAB9AAPPMAOBIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2044077-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES Glaxo Group Limited (GB) 2009-04-08 EP disclosed
WO-2008009700-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES GLAXO GROUP LIMITED (GB) 2008-01-24 WO disclosed