SCHEMBL8069704

SCHEMBL8069704

COc1ccc(Nc2ccc(NO)cc2)cc1-c1cccc(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 1/20 0.54
PDE4B Q07343 3/20 0.47
AGPAT2 O15120 10/20 0.45
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
STK10 O94804 1/20 0.42
CLK2 P49760 1/20 0.42
GSK3A P49840 1/20 0.42
GSK3B P49841 1/20 0.42
STK33 Q9BYT3 1/20 0.42
SLK Q9H2G2 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
TLK1 Q9UKI8 1/20 0.42
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
PTGES2 Q9H7Z7 1/20 0.41
PRKCQ Q04759 1/20 0.41

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
SCHEMBL15906098 0.88 AGPAT2 (0.55) PDE4DPDE4BAGPAT2MEN1ALDH1A1
SCHEMBL4330980 0.87 PDE4D (0.54) PDE4DPDE4BAGPAT2ALDH1A1MAPT
SCHEMBL13578457 0.84 PDE4D (0.52) PDE4DPDE4BAGPAT2MEN1ALDH1A1
SCHEMBL8072297 0.84 PDE4D (0.76) PDE4DPDE4BAGPAT2MEN1ALDH1A1
SCHEMBL8064607 0.84 PDE4D (0.76) PDE4DPDE4BMEN1ALDH1A1GAA
SCHEMBL8024587 0.83 PDE4D (0.55) PDE4DPDE4BMEN1ALDH1A1GAA
SCHEMBL8070016 0.83 PDE4D (0.50) PDE4DPDE4BAGPAT2MEN1ALDH1A1
SCHEMBL3788953 0.82 MEN1 (0.50) PDE4DPDE4BAGPAT2MEN1ALDH1A1
SCHEMBL5099550 0.81 PDE4D (0.56) PDE4DPDE4BAGPAT2ALDH1A1MAPT
SCHEMBL8066343 0.81 ALDH1A1 (0.48) PDE4DMEN1ALDH1A1GAAMAPT

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-2009067600-A2 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATION DECODE GENETICS EHF (IS) 2009-05-28 WO disclosed