SCHEMBL7364759

SCHEMBL7364759

O=c1c2cccnc2c(-c2ccc3c(c2)OCO3)nn1Cc1cc[n+]([O-])cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 5/20 0.52
PDE4B Q07343 3/20 0.52
PDE4C Q08493 3/20 0.52
PDE4D Q08499 3/20 0.52
PDE3B Q13370 1/20 0.52
PDE3A Q14432 1/20 0.52
PDE5A O76074 1/20 0.41
HPGD P15428 1/20 0.40
GLO1 Q04760 1/20 0.39
ALDH1A1 P00352 4/20 0.39
GAA P10253 1/20 0.39
KDM4E B2RXH2 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
EDNRB P24530 2/20 0.38
EDNRA P25101 1/20 0.38
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPK1 P28482 2/20 0.37
PKM P14618 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL7359586 0.89 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7361880 0.89 PDE4A (0.67) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7359530 0.82 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL8693757 0.82 PDE5A (0.51) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7361132 0.82 PDE4A (0.77) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7370523 0.81 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL9379010 0.81 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7365746 0.81 PDE4A (0.56) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7363644 0.81 PDE4A (0.61) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL9375608 0.79 PDE4A (0.57) 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