SCHEMBL9954735

SCHEMBL9954735

COc1ncc(B2OC(C)(C)C(C)(C)O2)cc1-c1nnnn1COCCC[Si](C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.33
AAK1 Q2M2I8 1/20 0.31

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
SCHEMBL9954209 0.78 ALPL (0.34) ALPLAAK1
SCHEMBL9953699 0.78 ALPL (0.38) ALPLAAK1
SCHEMBL9952972 0.76 ALPL (0.33) ALPLAAK1
SCHEMBL9954569 0.75 DGAT1 (0.35)
SCHEMBL9954978 0.74 ALPL (0.34) ALPLAAK1
SCHEMBL9953694 0.73 ALPL (0.34) ALPLAAK1
SCHEMBL21382568 0.71 POLB (0.38)
SCHEMBL31221734 0.69 GSK3A (0.34) AAK1
SCHEMBL9954053 0.67 ALPL (0.38) ALPLAAK1
SCHEMBL24566554 0.66 GSK3A (0.33) AAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012087938-A1 QUINAZOLINONE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-06-28 WO disclosed