SCHEMBL5265113

SCHEMBL5265113

CCCC(=O)OCOC(=O)c1c(-c2cccc(F)c2)nn(CC)c(=O)c1Nc1cccnc1.CCOC(=O)c1c(-c2ccc(F)cc2)nn(CC)c(=O)c1Nc1cccnc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 5/20 0.40
ALDH1A1 P00352 5/20 0.38
MAPT P10636 5/20 0.38
KDM4E B2RXH2 3/20 0.38
NPSR1 Q6W5P4 3/20 0.38
MEN1 O00255 2/20 0.38
LMNA P02545 2/20 0.38
HTT P42858 2/20 0.38
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HPGD P15428 1/20 0.38
UBE2N P61088 1/20 0.38
CSNK1E P49674 1/20 0.37
TP53 P04637 1/20 0.36
NOTUM Q6P988 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TBXAS1 P24557 1/20 0.36
MAPK1 P28482 1/20 0.36
PDE4A P27815 3/20 0.36
PDE4C Q08493 3/20 0.36

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
SCHEMBL4056170 0.95 PDE4B (0.42) PDE4BALDH1A1MAPTKDM4ENPSR1
SCHEMBL4052633 0.93 PDE4B (0.43) PDE4BALDH1A1MAPTKDM4ENPSR1
SCHEMBL4052874 0.91 PDE4B (0.44) PDE4BALDH1A1MAPTKDM4ENPSR1
SCHEMBL4054775 0.89 PDE4B (0.46) PDE4BALDH1A1MAPTKDM4ENPSR1
SCHEMBL4052248 0.87 PDE4B (0.52) PDE4BALDH1A1MAPTKDM4ENPSR1
SCHEMBL5262513 0.85 PDE4B (0.39) PDE4BALDH1A1MAPTKDM4ENPSR1
SCHEMBL4050541 0.83 PDE4B (0.46) PDE4BALDH1A1MAPTKDM4ENPSR1
SCHEMBL4053547 0.83 PDE4B (0.56) PDE4BALDH1A1MAPTKDM4ENPSR1
SCHEMBL4051493 0.82 PDE4B (0.50) PDE4BALDH1A1MAPTMEN1LMNA
SCHEMBL4048548 0.82 ALDH1A1 (0.50) PDE4BALDH1A1MAPTKDM4ELMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1781621-A1 PYRIDAZIN-3(2H)-ONE DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS Laboratorios Almirall, S.A. (ES) 2007-05-09 EP claimed
WO-2005123693-A1 PYRIDAZIN-3(2H)-ONE DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS LABORATORIOS ALMIRALL, S.A. (ES) 2005-12-29 WO claimed