SCHEMBL7364816

SCHEMBL7364816

O=c1c2cccnc2c(-c2cccc([N+](=O)[O-])c2)nn1Cc1ccsc1

nearest known ligand 0.76

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 11/20 0.76
PDE4D Q08499 10/20 0.76
PDE4C Q08493 6/20 0.76
PDE4B Q07343 4/20 0.76
PDE3B Q13370 1/20 0.55
PDE3A Q14432 1/20 0.55
CFTR P13569 3/20 0.41
IDO1 P14902 1/20 0.40

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
SCHEMBL7363642 0.88 PDE4A (0.87) PDE4APDE4DPDE4CPDE4BPDE3B
Pyridopyridazinone SCHEMBL6637552 0.87 PDE4A (1.00) PDE4APDE4DPDE4CPDE4BPDE3B
Pyridopyridazinone SCHEMBL31427010 0.87 PDE4A (1.00) PDE4APDE4DPDE4CPDE4BPDE3B
Pyridopyridazinone SCHEMBL31427009 0.87 PDE4A (1.00) PDE4APDE4DPDE4CPDE4BPDE3B
Pyridopyridazinone SCHEMBL7367220 0.86 PDE4A (0.98) PDE4APDE4DPDE4CPDE4BPDE3B
SCHEMBL7366130 0.85 PDE4A (0.82) PDE4APDE4DPDE4CPDE4BPDE3B
SCHEMBL7363275 0.85 PDE4A (0.76) PDE4APDE4DPDE4CPDE4BPDE3B
SCHEMBL8693836 0.84 PDE4A (0.75) PDE4APDE4DPDE4CPDE4BPDE3B
SCHEMBL7362628 0.84 PDE4A (0.81) PDE4APDE4DPDE4CPDE4BPDE3B
SCHEMBL8697092 0.83 PDE4A (0.75) 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 4 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
US-5716954-A ANTIINFLAMMATORY AGENT, ANTIHISTAMINES, IMMUNOSUPPRESSION,AUTOIMMUNE DISEASES SYNTEX U.S.A. INC. (US) 1998-02-10 US 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