SCHEMBL9375608

SCHEMBL9375608

CCc1ccc(-c2nn(Cc3cc[n+]([O-])cc3)c(=O)c3cccnc23)cc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 5/20 0.57
PDE4B Q07343 3/20 0.57
PDE4C Q08493 3/20 0.57
PDE4D Q08499 3/20 0.57
PDE3B Q13370 1/20 0.50
PDE3A Q14432 1/20 0.50
NPSR1 Q6W5P4 2/20 0.41
CTSB P07858 3/20 0.36
ALDH1A1 P00352 6/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP2D6 P10635 1/20 0.35
CASP1 P29466 1/20 0.35
HIF1A Q16665 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MAPT P10636 4/20 0.35
POLB P06746 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL7366444 0.91 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7367014 0.89 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL9379010 0.85 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7362628 0.84 PDE4A (0.81) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7367215 0.82 PDE4A (0.63) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7370523 0.81 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7362856 0.81 PDE4A (0.73) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7368635 0.80 PDE4A (0.63) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7361132 0.80 PDE4A (0.77) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL9380438 0.79 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DPDE3B

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 1 patent. 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