SCHEMBL5265533

SCHEMBL5265533

CCn1nc(-c2ccccc2)c(C(=O)OCCl)c(Nc2cccnc2)c1=O.CCn1nc(-c2ccccc2)c(C(=O)OCOC(=O)C(C)C)c(Nc2cncc3ccccc23)c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 4/20 0.41
TBXAS1 P24557 1/20 0.39
ALDH1A1 P00352 4/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MAPT P10636 5/20 0.37
MAPK1 P28482 3/20 0.35
LMNA P02545 3/20 0.35
GAA P10253 2/20 0.33
HPGD P15428 2/20 0.33
KDM4E B2RXH2 3/20 0.33
NPSR1 Q6W5P4 3/20 0.33
MEN1 O00255 2/20 0.33
HTT P42858 2/20 0.33
KMT2A Q03164 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TSHR P16473 1/20 0.32
UBE2N P61088 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32

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
SCHEMBL4053643 0.90 PDE4B (0.45) PDE4BTBXAS1ALDH1A1L3MBTL1MAPT
SCHEMBL4059717 0.88 PDE4B (0.47) PDE4BTBXAS1GAAHTTSMN1; SMN2
SCHEMBL4051234 0.88 PDE4B (0.52) PDE4BTBXAS1ALDH1A1L3MBTL1MAPT
SCHEMBL4054383 0.85 PDE4B (0.54) PDE4BTBXAS1ALDH1A1L3MBTL1MAPT
SCHEMBL5264222 0.85 PDE4B (0.41) PDE4BTBXAS1ALDH1A1L3MBTL1MAPT
SCHEMBL4055082 0.82 PDE4B (0.47) PDE4BTBXAS1ALDH1A1LMNAGAA
SCHEMBL4057192 0.82 PDE4B (0.49) PDE4BTBXAS1GAAMEN1KMT2A
SCHEMBL4052008 0.82 PDE4B (0.45) PDE4BTBXAS1L3MBTL1MAPTGAA
SCHEMBL4051345 0.82 PDE4B (0.50) PDE4BTBXAS1ALDH1A1L3MBTL1MAPT
SCHEMBL4052285 0.82 PDE4B (0.46) PDE4BTBXAS1ALDH1A1MAPTGAA

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 disclosed
WO-2005123693-A1 PYRIDAZIN-3(2H)-ONE DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS LABORATORIOS ALMIRALL, S.A. (ES) 2005-12-29 WO disclosed