SCHEMBL5263166

SCHEMBL5263166

CCOC(=O)c1c(-c2ccccc2)nn(CC)c(=O)c1Nc1cccnc1.CCn1nc(-c2ccccc2)c(C(=O)OCCN)c(Nc2cccc3ncccc23)c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 5/20 0.42
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 4/20 0.40
MAPT P10636 4/20 0.40
NPSR1 Q6W5P4 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 3/20 0.40
MEN1 O00255 2/20 0.40
HTT P42858 2/20 0.40
KMT2A Q03164 2/20 0.40
HPGD P15428 1/20 0.40
UBE2N P61088 1/20 0.40
MAPK1 P28482 2/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
TBXAS1 P24557 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL4053623 0.91 PDE4B (0.45) PDE4BSMN1; SMN2LMNAMEN1HTT
SCHEMBL4053547 0.84 PDE4B (0.56) PDE4BALDH1A1KDM4EMAPTNPSR1
SCHEMBL4052589 0.84 PDE4B (0.43) PDE4BMAPTSMN1; SMN2LMNAMEN1
SCHEMBL4055308 0.84 PDE4B (0.47) PDE4BKDM4ESMN1; SMN2LMNAMEN1
SCHEMBL4050022 0.83 GAA (0.44) PDE4BALDH1A1KDM4EMAPTLMNA
SCHEMBL4049916 0.83 PDE4B (0.43) PDE4BSMN1; SMN2LMNAHTTTBXAS1
SCHEMBL4049469 0.82 PDE4B (0.48) PDE4BKDM4EMAPTSMN1; SMN2LMNA
SCHEMBL4048502 0.82 PDE4B (0.45) PDE4BSMN1; SMN2LMNAHTTTBXAS1
SCHEMBL4059635 0.81 PDE4B (0.43) PDE4BSMN1; SMN2LMNAHTTPDE4A
SCHEMBL4055629 0.80 PDE4B (0.44) PDE4BALDH1A1MAPTLMNAMEN1

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