SCHEMBL7364068

SCHEMBL7364068

O=c1c2ncccc2c(-c2cccc([N+](=O)[O-])c2)nn1Cc1ccncc1

nearest known ligand 0.85

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 8/20 0.85
PDE4D Q08499 8/20 0.85
PDE4C Q08493 5/20 0.85
PDE4B Q07343 4/20 0.85
PDE3B Q13370 1/20 0.61
PDE3A Q14432 1/20 0.61
CFTR P13569 3/20 0.44
IDO1 P14902 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CTSB P07858 1/20 0.42
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41

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
SCHEMBL7361489 0.93 PDE4D (0.74) PDE4APDE4DPDE4CPDE4BPDE3B
Pyridopyridazinone SCHEMBL31427010 0.92 PDE4A (1.00) PDE4APDE4DPDE4CPDE4BPDE3B
Pyridopyridazinone SCHEMBL31427009 0.92 PDE4A (1.00) PDE4APDE4DPDE4CPDE4BPDE3B
Pyridopyridazinone SCHEMBL6637552 0.92 PDE4A (1.00) PDE4APDE4DPDE4CPDE4BPDE3B
Pyridopyridazinone SCHEMBL7367220 0.91 PDE4A (0.98) PDE4APDE4DPDE4CPDE4BPDE3B
SCHEMBL7366898 0.89 PDE4A (0.69) PDE4APDE4DPDE4CPDE4BPDE3B
SCHEMBL7361180 0.85 PDE4A (0.63) PDE4APDE4DPDE4CPDE4BCFTR
SCHEMBL7363642 0.85 PDE4A (0.87) PDE4APDE4DPDE4CPDE4BPDE3B
SCHEMBL8306609 0.84 PDE4A (0.84) PDE4APDE4DPDE4CPDE4BPDE3B
SCHEMBL7365928 0.83 PDE4A (0.66) PDE4APDE4DPDE4CPDE4BPDE3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0612321-B1 PYRIDO PYRIDAZINONE AND PYRIDAZINTHIONE COMPOUNDS WITH PDE IV INHIBITING ACTIVITY SYNTEX INC (US) 1999-08-25 EP disclosed
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