SCHEMBL8064779

SCHEMBL8064779

COc1ccc(Cn2cc(N)ccc2=O)cc1-c1cccc(NO)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 1/20 0.42
PDE4B Q07343 5/20 0.41
CHRM3 P20309 2/20 0.38
HDAC4 P56524 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
MKNK1 Q9BUB5 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
HTT P42858 1/20 0.36
HDAC1 Q13547 1/20 0.35
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
MAPK10 P53779 1/20 0.35
SDHB P21912 1/20 0.35
ICMT O60725 1/20 0.35
HTR7 P34969 1/20 0.35
FAAH O00519 1/20 0.35

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
SCHEMBL8064845 0.87 PDE4D (0.44) PDE4DPDE4BCHRM3MKNK1MKNK2
SCHEMBL8055946 0.87 PDE4D (0.55) PDE4DPDE4BCHRM3MKNK1MKNK2
SCHEMBL8066667 0.86 PDE4D (0.42) PDE4DPDE4BHDAC4HDAC2HDAC8
SCHEMBL15906132 0.85 PDE4B (0.43) PDE4DPDE4BCHRM3SDHBHTR7
SCHEMBL8062936 0.85 L3MBTL1 (0.39) PDE4DPDE4BCHRM3FNTAFNTB
SCHEMBL8055203 0.85 PDE4D (0.44) PDE4DPDE4BCHRM3MKNK1MKNK2
SCHEMBL7913026 0.85 PDE4B (0.43) PDE4DPDE4BHDAC4HDAC2HDAC8
SCHEMBL8056654 0.82 PDE4D (0.43) PDE4DPDE4BCHRM3HDAC4HDAC2
SCHEMBL8066487 0.81 PDE4D (0.41) PDE4DPDE4BCHRM3HDAC4HDAC2
SCHEMBL3805785 0.81 TUBB4A (0.46) PDE4DPDE4B

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