SCHEMBL7361180

SCHEMBL7361180

CCn1nc(-c2cccc([N+](=O)[O-])c2)c2cccnc2c1=O

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 11/20 0.63
PDE4D Q08499 13/20 0.63
PDE4C Q08493 8/20 0.63
PDE4B Q07343 5/20 0.63
CFTR P13569 3/20 0.48
TBXAS1 P24557 1/20 0.46
IDO1 P14902 1/20 0.45

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
SCHEMBL7359713 0.91 PDE4A (0.75) PDE4APDE4DPDE4CPDE4BCFTR
SCHEMBL7361489 0.86 PDE4D (0.74) PDE4APDE4DPDE4CPDE4BCFTR
SCHEMBL7364068 0.85 PDE4A (0.85) PDE4APDE4DPDE4CPDE4BCFTR
SCHEMBL7366898 0.83 PDE4A (0.69) PDE4APDE4DPDE4CPDE4BCFTR
SCHEMBL7360186 0.82 PDE4A (0.61) PDE4APDE4DPDE4CPDE4BTBXAS1
SCHEMBL7364120 0.82 TBXAS1 (0.50) PDE4APDE4DPDE4CPDE4BTBXAS1
SCHEMBL7361659 0.80 PDE4D (0.55) PDE4APDE4DPDE4CPDE4BCFTR
SCHEMBL7367898 0.80 TBXAS1 (0.48) PDE4APDE4DPDE4CPDE4BTBXAS1
SCHEMBL7363642 0.78 PDE4A (0.87) PDE4APDE4DPDE4CPDE4BCFTR
SCHEMBL7738892 0.78 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 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