SCHEMBL13985121

SCHEMBL13985121

Cc1ccc(CNCCCN2C(=O)c3ccccc3C2=O)cc1

nearest known ligand 0.74

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ACHE P22303 13/20 0.72

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
SCHEMBL4313288 0.96 ACHE (0.79) ACHE
SCHEMBL8541296 0.89 ACHE (0.88) ACHE
SCHEMBL13784473 0.82 ACHE (0.71) ACHE
SCHEMBL9218494 0.82 ACHE (0.66) ACHE
SCHEMBL25341924 0.82 ACHE (1.00) ACHE
SCHEMBL31053950 0.82 ACHE (1.00) ACHE
SCHEMBL9827604 0.81 ACHE (0.69) ACHE
SCHEMBL28441280 0.80 ACHE (0.77) ACHE
SCHEMBL21309370 0.80 ACHE (0.59) ACHE
SCHEMBL7476248 0.79 SIRT1 (0.66) ACHE

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-2173724-B1 QUINAZOLINONE COMPOUNDS AND METHODS OF USE THEREOF ARQULE INC (US) 2012-12-05 EP disclosed
WO-2009002808-A2 QUINAZOLINONE COMPOUNDS AND METHODS OF USE THEREOF ARQULE, INC. (US) 2008-12-31 WO disclosed