SCHEMBL7364184

SCHEMBL7364184

O=c1c2cccnc2c(-c2cccc([N+](=O)[O-])c2)nn1-c1nc(CO)c[nH]1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 12/20 0.57
PDE4D Q08499 12/20 0.57
PDE4C Q08493 7/20 0.57
PDE4B Q07343 4/20 0.57
TOP1 P11387 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CFTR P13569 1/20 0.42
IDO1 P14902 1/20 0.39
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39

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
SCHEMBL7365106 0.85 PDE4A (0.55) PDE4APDE4DPDE4CPDE4BPDE3B
SCHEMBL7362724 0.80 PDE4D (0.63) PDE4APDE4DPDE4CPDE4BTOP1
SCHEMBL7369668 0.78 PDE4A (0.56) PDE4APDE4DPDE4CPDE4BTOP1
SCHEMBL7359713 0.76 PDE4A (0.75) PDE4APDE4DPDE4CPDE4BCFTR
SCHEMBL8697092 0.74 PDE4A (0.75) PDE4APDE4DPDE4CPDE4BTOP1
SCHEMBL7369501 0.74 PDE4A (0.63) PDE4APDE4DPDE4CPDE4BTOP1
SCHEMBL8693550 0.73 PDE4A (0.65) PDE4APDE4DPDE4CPDE4BTOP1
SCHEMBL7363642 0.73 PDE4A (0.87) PDE4APDE4DPDE4CPDE4BTOP1
SCHEMBL7738892 0.73 PDE4A (1.00) PDE4APDE4DPDE4CPDE4BMEN1
Pyridopyridazinone SCHEMBL6637552 0.72 PDE4A (1.00) PDE4APDE4DPDE4CPDE4BCFTR

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-0612321-A1 PYRIDO PYRIDAZINONE AND PYRIDAZINTHIONE COMPOUNDS WITH PDE IV INHIBITING ACTIVITY SYNTEX (U.S.A.) INC. (US) 1994-08-31 EP disclosed
WO-1993007146-A1 BENZO AND PYRIDO PYRIDAZINONE AND PYRIDAZINTHIONE COMPOUNDS WITH PDE IV INHIBITING ACTIVITY SYNTEX (U.S.A.) INC. (US) 1993-04-15 WO disclosed