SCHEMBL7369668

SCHEMBL7369668

O=c1c2cccnc2c(-c2cccc([N+](=O)[O-])c2)nn1-c1cccn1CCO

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 10/20 0.56
PDE4D Q08499 11/20 0.56
PDE4C Q08493 6/20 0.56
PDE4B Q07343 3/20 0.56
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
CFTR P13569 1/20 0.38
TOP1 P11387 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
IDO1 P14902 1/20 0.37

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
SCHEMBL7364896 0.85 PDE4A (0.54) PDE4APDE4DPDE4CPDE4BMEN1
SCHEMBL7362724 0.79 PDE4D (0.63) PDE4APDE4DPDE4CPDE4BMEN1
SCHEMBL7364184 0.78 PDE4A (0.57) PDE4APDE4DPDE4CPDE4BMEN1
SCHEMBL7359713 0.75 PDE4A (0.75) PDE4APDE4DPDE4CPDE4BPDE3B
SCHEMBL7369665 0.74 PDE4A (0.53) PDE4APDE4DPDE4CPDE4BMEN1
SCHEMBL7364190 0.74 PDE4A (0.53) PDE4APDE4DPDE4CPDE4BMEN1
SCHEMBL7369501 0.73 PDE4A (0.63) PDE4APDE4DPDE4CPDE4BPDE3B
SCHEMBL7363642 0.72 PDE4A (0.87) PDE4APDE4DPDE4CPDE4BPDE3B
SCHEMBL7365389 0.72 PDE4A (0.51) PDE4APDE4DPDE4CPDE4BMEN1
SCHEMBL7365393 0.72 PDE4A (0.51) PDE4APDE4DPDE4CPDE4BMEN1

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