SCHEMBL8072345

SCHEMBL8072345

COc1ccc(Cc2ccc3c(c2)OCO3)nc1-c1cccc(NO)c1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 10/20 0.46
PDE4D Q08499 2/20 0.46
MAPT P10636 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPK1 P28482 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
GAA P10253 1/20 0.41
ATM Q13315 1/20 0.41
HPGD P15428 2/20 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
SCHEMBL8071898 0.81 PDE4B (0.56) PDE4BPDE4D
SCHEMBL3804507 0.81 PDE4B (0.68) PDE4BPDE4DMAPTALDH1A1HPGD
SCHEMBL8024647 0.76 PDE4B (0.46) PDE4BPDE4D
SCHEMBL8053232 0.75 PDE4B (0.45) PDE4BPDE4D
SCHEMBL8071504 0.73 CXCR4 (0.46) PDE4BMAPTALDH1A1
SCHEMBL8028328 0.71 PDE4B (0.41) PDE4BPDE4DMAPT
SCHEMBL107308 0.70 TAAR1 (0.54) MAPTALDH1A1
SCHEMBL8070648 0.69 PDE4B (0.42) PDE4BPDE4DALDH1A1ATM
SCHEMBL8066164 0.69 PDE4B (0.44) PDE4BPDE4DMAPT
SCHEMBL28885373 0.68 SMN1; SMN2 (0.54) MAPTALDH1A1MAPK1HPGD

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