SCHEMBL7367215

SCHEMBL7367215

Cc1ccc(-c2nn(Cc3ccccc3)c(=O)c3cccnc23)cc1[N+](=O)[O-]

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 6/20 0.63
PDE4B Q07343 4/20 0.63
PDE4C Q08493 4/20 0.63
PDE4D Q08499 4/20 0.63
PDE3B Q13370 1/20 0.55
PDE3A Q14432 1/20 0.55
ALDH1A1 P00352 3/20 0.46
NPSR1 Q6W5P4 4/20 0.45
CYP1A2 P05177 3/20 0.45
CYP2C19 P33261 3/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2C9 P11712 2/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CFTR P13569 1/20 0.41
AURKA O14965 1/20 0.41
AURKB Q96GD4 1/20 0.41
LMNA P02545 2/20 0.41
CYP2D6 P10635 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
SCHEMBL7362856 0.93 PDE4A (0.73) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7366444 0.91 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7368635 0.90 PDE4A (0.63) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL9382135 0.88 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7364352 0.84 KMT2A (0.48) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL7363642 0.84 PDE4A (0.87) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7365402 0.83 PDE4A (0.73) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7363014 0.82 ALDH1A1 (0.59) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL9375608 0.82 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7367014 0.81 PDE4A (0.59) 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