SCHEMBL6166936

SCHEMBL6166936

CCn1nc(-c2cccc(C(=O)O)c2)c(C(C)=O)c(Nc2cc(F)cc(F)c2)c1=O.CCn1nc(-c2ccccc2)c(C(=O)O)c(Nc2cccc(C#N)c2)c1=O

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 3/20 0.58
ACHE P22303 1/20 0.42
BACE1 P56817 1/20 0.42
ALDH1A1 P00352 2/20 0.38
POLB P06746 1/20 0.38
CSNK2A1 P68400 2/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
CSNK2A2 P19784 1/20 0.36
CSNK2B P67870 1/20 0.36
UBE2M P61081 1/20 0.34
DCUN1D1 Q96GG9 1/20 0.34
TP53 P04637 1/20 0.34
TSHR P16473 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
MCHR1 Q99705 1/20 0.34

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
SCHEMBL6166939 0.91 PDE4B (0.52) PDE4BACHEBACE1ALDH1A1POLB
SCHEMBL4707984 0.88 PDE4B (0.55) PDE4BACHEBACE1ALDH1A1HSD17B10
SCHEMBL4706104 0.88 PDE4B (0.68) PDE4B
SCHEMBL4708376 0.87 PDE4B (0.66) PDE4BACHEBACE1ALDH1A1POLB
SCHEMBL4708156 0.87 PDE4B (0.59) PDE4BACHEBACE1ALDH1A1POLB
SCHEMBL4706044 0.86 PDE4B (0.55) PDE4BACHEBACE1ALDH1A1POLB
SCHEMBL4707585 0.85 PDE4B (0.55) PDE4BACHEBACE1ALDH1A1POLB
SCHEMBL6169793 0.84 PDE4B (0.56) PDE4BACHEBACE1ALDH1A1POLB
SCHEMBL4706435 0.83 PDE4B (0.79) PDE4BTP53
SCHEMBL4705746 0.83 PDE4B (0.72) PDE4BACHEBACE1TP53PDE4A

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-1503992-A1 PYRIDAZIN-3(2H)-ONE DERIVATIVES AS PDE4 INHIBITORS Almirall Prodesfarma, S.A. (ES) 2005-02-09 EP disclosed
WO-2003097613-A1 PYRIDAZIN-3(2H)-ONE DERIVATIVES AS PDE4 INHIBITORS ALMIRALL PRODESFARMA SA (ES) 2003-11-27 WO disclosed