SCHEMBL8064845

SCHEMBL8064845

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 1/20 0.44
MAPK10 P53779 1/20 0.42
CHRM3 P20309 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 2/20 0.40
TP53 P04637 1/20 0.39
LMNA P02545 1/20 0.39
PDE4B Q07343 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
BRD4 O60885 1/20 0.38
BRD2 P25440 1/20 0.38
BRD3 Q15059 1/20 0.38
BRDT Q58F21 1/20 0.38
P2RX7 Q99572 1/20 0.38
MKNK1 Q9BUB5 1/20 0.37
MKNK2 Q9HBH9 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
SCHEMBL8055946 0.88 PDE4D (0.55) PDE4DMAPK10CHRM3ALDH1A1MAPT
SCHEMBL15906145 0.87 MAPT (0.46) PDE4DMAPK10CHRM3MAPTTP53
SCHEMBL8064779 0.87 PDE4D (0.42) PDE4DMAPK10CHRM3PDE4BMKNK1
SCHEMBL8055203 0.85 PDE4D (0.44) PDE4DCHRM3ALDH1A1MAPTPDE4B
SCHEMBL4322258 0.83 ACHE (0.44) PDE4DMAPK10ALDH1A1MAPTLMNA
SCHEMBL8062936 0.83 L3MBTL1 (0.39) PDE4DCHRM3ALDH1A1MAPTPDE4B
SCHEMBL7913026 0.82 PDE4B (0.43) PDE4DPDE4BFAAH
SCHEMBL8066491 0.80 PDE4D (0.41) PDE4DCHRM3PDE4B
SCHEMBL8066667 0.80 PDE4D (0.42) PDE4DPDE4B
SCHEMBL8066487 0.79 PDE4D (0.41) PDE4DCHRM3MAPTTP53LMNA

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