SCHEMBL4676348

SCHEMBL4676348

CCn1nc(-c2ccc(C(=O)O)cc2)c(C(C)=O)c(Nc2cncc3ccccc23)c1=O

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 6/20 0.67
HPGD P15428 1/20 0.41
TBXAS1 P24557 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TP53 P04637 1/20 0.37
PLA2G10 O15496 1/20 0.36
RORC P51449 1/20 0.36

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
SCHEMBL3022117 0.94 PDE4B (0.62) PDE4BTBXAS1SMN1; SMN2TP53
SCHEMBL3038012 0.91 PDE4B (0.55) PDE4BHPGDTBXAS1SMN1; SMN2
SCHEMBL3028542 0.91 PDE4B (0.54) PDE4BSMN1; SMN2TP53
SCHEMBL3033040 0.90 PDE4B (0.55) PDE4BTBXAS1SMN1; SMN2TP53
SCHEMBL4678948 0.89 PDE4B (0.53) PDE4BTBXAS1TP53
SCHEMBL4050522 0.89 PDE4B (0.55) PDE4BTBXAS1SMN1; SMN2TP53
SCHEMBL3039960 0.89 PDE4B (0.52) PDE4BHPGDTBXAS1SMN1; SMN2TP53
SCHEMBL4053752 0.87 PDE4B (0.49) PDE4BTBXAS1SMN1; SMN2TP53
SCHEMBL3033372 0.86 TBXAS1 (0.54) PDE4BTBXAS1SMN1; SMN2TP53
SCHEMBL1996275 0.85 PDE4B (0.48) PDE4BHPGDSMN1; SMN2

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