SCHEMBL4674594

SCHEMBL4674594

CCn1nc(-c2ccc(F)cc2)c(C(C)=O)c(Nc2ccc3c(ccc[n+]3[O-])c2)c1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.54
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35
THRB P10828 1/20 0.35
PKM P14618 1/20 0.35
BLM P54132 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ACHE P22303 1/20 0.35
BACE1 P56817 1/20 0.35
HTR1A P08908 2/20 0.34
ADRA1D P25100 2/20 0.34
ADRA1A P35348 2/20 0.34
ADRA1B P35368 2/20 0.34
MCHR1 Q99705 1/20 0.34
PPARG P37231 1/20 0.33

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
SCHEMBL3035388 0.82 PDE4B (0.48) PDE4BMAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL4674784 0.82 PDE4B (0.56) PDE4BMAPTPOLBAHR
SCHEMBL4707416 0.80 PDE4B (0.80) PDE4BMAPTSMN1; SMN2TP53ACHE
SCHEMBL4708479 0.79 PDE4B (0.58) PDE4BMAPTSMN1; SMN2POLBACHE
SCHEMBL4706461 0.78 PDE4B (0.74) PDE4BMAPTSMN1; SMN2TP53HTR1A
SCHEMBL4707663 0.78 PDE4B (0.64) PDE4BMAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL4708413 0.77 PDE4B (0.59) PDE4BMAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL4708670 0.77 PDE4B (0.63) PDE4BMAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL4707585 0.77 PDE4B (0.55) PDE4BALDH1A1POLBACHEBACE1
SCHEMBL3022169 0.76 PDE4B (0.47) PDE4BTP53POLBHTR1AADRA1D

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 disclosed