SCHEMBL5753553

SCHEMBL5753553

C=Cc1c(-c2ccccc2)nn(CC)c(=O)c1Nc1cccc(Cl)c1.CCc1c(-c2ccccc2)nn(CC)c(=O)c1Nc1ccccc1.CCn1nc(-c2ccccc2)c(C(C)O)c(Nc2cccc(Cl)c2)c1=O.CCn1nc(-c2ccccc2)c(C(C)OC)c(Nc2cccc(Cl)c2)c1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.38
ACHE P22303 1/20 0.36
BACE1 P56817 1/20 0.36
PARP1 P09874 2/20 0.36
PDE4A P27815 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.32
MAPT P10636 3/20 0.32
RECQL P46063 1/20 0.31
KCNJ6 P48051 1/20 0.31
KCNJ5 P48544 1/20 0.31
KCNJ3 P48549 1/20 0.31
KDM4E B2RXH2 1/20 0.30
PPARG P37231 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NR2E3 Q9Y5X4 1/20 0.30
NCOR2 Q9Y618 1/20 0.30
GSK3B P49841 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL4054081 0.86 PDE4B (0.44) PDE4BACHEBACE1PARP1PDE4A
SCHEMBL4051776 0.84 PDE4B (0.48) PDE4BACHEBACE1PARP1PDE4A
SCHEMBL4051139 0.83 PDE4B (0.47) PDE4BACHEBACE1PARP1PDE4A
SCHEMBL4708521 0.76 PDE4B (0.47) PDE4BACHEBACE1PARP1PDE4A
SCHEMBL4058399 0.75 PDE4B (0.43) PDE4BACHEBACE1PARP1PDE4A
SCHEMBL4058403 0.75 PDE4B (0.43) PDE4BACHEBACE1PARP1PDE4A
SCHEMBL4059172 0.74 PDE4B (0.58) PDE4BPDE4APDE4CPDE4DKDM4E
SCHEMBL4708343 0.72 PDE4B (0.56) PDE4BACHEBACE1PARP1PDE4A
SCHEMBL4707950 0.71 PDE4B (0.55) PDE4BACHEBACE1PARP1PDE4A
SCHEMBL4706084 0.71 PDE4B (0.62) PDE4BACHEBACE1PARP1PDE4A

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-1682519-A1 PYRIDAZIN-3(2H)-ONE DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS Almirall Prodesfarma, S.A. (ES) 2006-07-26 EP disclosed
WO-2005049581-A1 PYRIDAZIN-3 (2H) -ONE DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS ALMIRALL PRODESFARMA, S.A. (ES) 2005-06-02 WO disclosed