SCHEMBL8070016

SCHEMBL8070016

COc1ccc(N(C)c2ccc(NO)cc2)cc1-c1cccc(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 1/20 0.50
PDE4B Q07343 2/20 0.44
ALDH1A1 P00352 3/20 0.41
GAA P10253 2/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
AHR P35869 1/20 0.41
RORC P51449 2/20 0.40
RORB Q92753 2/20 0.40
MTNR1A P48039 3/20 0.39
MTNR1B P49286 3/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PTGES2 Q9H7Z7 1/20 0.39
SLC6A9 P48067 1/20 0.38
MAPK10 P53779 1/20 0.38
AGPAT2 O15120 1/20 0.37

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
SCHEMBL4325615 0.85 PDE4D (0.70) PDE4DPDE4BALDH1A1GAAMAPT
SCHEMBL15906099 0.85 PDE4B (0.47) PDE4DPDE4BMAPTNPC1RORC
SCHEMBL4331307 0.84 PDE4B (0.46) PDE4DPDE4BMAPTNPC1RORC
SCHEMBL8069704 0.83 PDE4D (0.54) PDE4DPDE4BALDH1A1GAAMAPT
SCHEMBL13578684 0.81 PDE4D (0.43) PDE4DPDE4BMAPTMEN1KMT2A
SCHEMBL16158722 0.81 PDE4B (0.43) PDE4DPDE4BALDH1A1GAAMAPT
SCHEMBL8064607 0.80 PDE4D (0.76) PDE4DPDE4BALDH1A1GAAMAPT
SCHEMBL3792062 0.79 MAPT (0.44) PDE4DPDE4BALDH1A1MAPTMEN1
SCHEMBL8024587 0.79 PDE4D (0.55) PDE4DPDE4BALDH1A1GAAMAPT
SCHEMBL5099550 0.77 PDE4D (0.56) PDE4DPDE4BALDH1A1MAPTNPC1

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