SCHEMBL4678948

SCHEMBL4678948

CCn1nc(-c2ccc(C(=O)O)c(C)c2)c(C(C)=O)c(Nc2cncc3ccccc23)c1=O

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 7/20 0.53
KDM4C Q9H3R0 3/20 0.35
TBXAS1 P24557 1/20 0.35
TP53 P04637 1/20 0.35
LMNA P02545 1/20 0.34
THRB P10828 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
SCHEMBL4676348 0.89 PDE4B (0.67) PDE4BTBXAS1TP53
SCHEMBL3022117 0.88 PDE4B (0.62) PDE4BTBXAS1TP53LMNA
SCHEMBL3028542 0.87 PDE4B (0.54) PDE4BTP53
SCHEMBL3029482 0.86 PDE4B (0.52) PDE4BTBXAS1THRB
SCHEMBL4678287 0.85 PDE4B (0.52) PDE4BKDM4CTP53
SCHEMBL3033040 0.84 PDE4B (0.55) PDE4BTBXAS1TP53
SCHEMBL3038012 0.84 PDE4B (0.55) PDE4BTBXAS1
SCHEMBL4053752 0.84 PDE4B (0.49) PDE4BTBXAS1TP53LMNA
SCHEMBL4050522 0.83 PDE4B (0.55) PDE4BTBXAS1TP53
SCHEMBL3039960 0.83 PDE4B (0.52) PDE4BTBXAS1TP53LMNATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1575926-B1 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES ALMIRALL LAB (ES) 2008-03-05 EP claimed