SCHEMBL9954053

SCHEMBL9954053

COc1ncc(B2OC(C)(C)C(C)(C)O2)cc1-c1nnn(C)n1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.38
AAK1 Q2M2I8 1/20 0.35
RAB9A P51151 5/20 0.33
NPC1 O15118 4/20 0.33
PDGFRB P09619 1/20 0.33
KDR P35968 1/20 0.33
EPHX2 P34913 1/20 0.32
PPARA Q07869 1/20 0.32
PDE10A Q9Y233 1/20 0.32
DGAT1 O75907 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TYK2 P29597 4/20 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
SCHEMBL9952972 0.79 ALPL (0.33) ALPLAAK1PDGFRBKDRDGAT1
SCHEMBL9953699 0.79 ALPL (0.38) ALPLAAK1PDGFRBKDRDGAT1
SCHEMBL31267052 0.78 LPL (0.33) RAB9ANPC1TYK2
SCHEMBL10289150 0.77 ALPL (0.39) ALPLAAK1PDGFRBKDRKDM4E
SCHEMBL30036821 0.77 ALPL (0.39) ALPLAAK1RAB9ANPC1PDGFRB
SCHEMBL28575518 0.77 ALPL (0.39) ALPLAAK1RAB9ANPC1PDGFRB
SCHEMBL9953913 0.77 ALPL (0.40) ALPLAAK1PDGFRBKDRDGAT1
SCHEMBL9954260 0.74 RAB9A (0.38) RAB9ANPC1EPHX2PPARAPDE10A
SCHEMBL29406802 0.74 DGAT1 (0.44) PPARADGAT1
SCHEMBL30023285 0.74 PPARA (0.40) EPHX2PPARA

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