SCHEMBL7366444

SCHEMBL7366444

Cc1ccc(-c2nn(Cc3cc[n+]([O-])cc3)c(=O)c3cccnc23)cc1[N+](=O)[O-]

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 5/20 0.59
PDE4B Q07343 3/20 0.59
PDE4C Q08493 3/20 0.59
PDE4D Q08499 3/20 0.59
PDE3B Q13370 1/20 0.52
PDE3A Q14432 1/20 0.52
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 5/20 0.39
NPSR1 Q6W5P4 5/20 0.39
LMNA P02545 1/20 0.39
ALOX12 P18054 1/20 0.39
CCR6 P51684 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38

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
SCHEMBL9375608 0.91 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7367014 0.91 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7367215 0.91 PDE4A (0.63) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7362856 0.90 PDE4A (0.73) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7362628 0.85 PDE4A (0.81) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL9382135 0.85 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7370523 0.85 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL9379010 0.83 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7366174 0.82 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7368635 0.81 PDE4A (0.63) 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 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