SCHEMBL9380438

SCHEMBL9380438

O=c1c2cccnc2c(-c2cccc([N+](=O)[O-])c2Cl)nn1Cc1cc[n+]([O-])cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 4/20 0.53
PDE4D Q08499 3/20 0.53
PDE4B Q07343 2/20 0.53
PDE4C Q08493 2/20 0.53
PDE3B Q13370 1/20 0.48
PDE3A Q14432 1/20 0.48
ALDH1A1 P00352 7/20 0.38
KDM4E B2RXH2 5/20 0.38
KMT2A Q03164 5/20 0.38
MEN1 O00255 4/20 0.38
TDP1 Q9NUW8 4/20 0.38
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
PDE10A Q9Y233 1/20 0.36
MAPT P10636 4/20 0.35
HTT P42858 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
LMNA P02545 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
HSP90AA1 P07900 2/20 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
SCHEMBL7367014 0.83 PDE4A (0.59) PDE4APDE4DPDE4BPDE4CPDE3B
SCHEMBL7366444 0.81 PDE4A (0.59) PDE4APDE4DPDE4BPDE4CPDE3B
SCHEMBL7362628 0.80 PDE4A (0.81) PDE4APDE4DPDE4BPDE4CPDE3B
SCHEMBL9375608 0.79 PDE4A (0.57) PDE4APDE4DPDE4BPDE4CPDE3B
SCHEMBL7361132 0.78 PDE4A (0.77) PDE4APDE4DPDE4BPDE4CPDE3B
SCHEMBL9379010 0.75 PDE4A (0.53) PDE4APDE4DPDE4BPDE4CPDE3B
SCHEMBL7370523 0.75 PDE4A (0.53) PDE4APDE4DPDE4BPDE4CPDE3B
SCHEMBL7363644 0.75 PDE4A (0.61) PDE4APDE4DPDE4BPDE4CPDE3B
SCHEMBL7366898 0.75 PDE4A (0.69) PDE4APDE4DPDE4BPDE4CPDE3B
SCHEMBL7369778 0.73 PDE4A (0.51) PDE4APDE4DPDE4BPDE4CPDE3B

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