SCHEMBL7364190

SCHEMBL7364190

O=C1C(n2nc(-c3cccc([N+](=O)[O-])c3)c3ncccc3c2=O)CCN1CCO

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 10/20 0.53
PDE4D Q08499 11/20 0.53
PDE4C Q08493 6/20 0.53
PDE4B Q07343 3/20 0.53
RXFP1 Q9HBX9 1/20 0.39
CFTR P13569 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
MAPT P10636 2/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
TOP1 P11387 1/20 0.36
KDM4E B2RXH2 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL8308698 0.86 PDE4A (0.57) PDE4APDE4DPDE4CPDE4BPDE3B
SCHEMBL7369665 0.83 PDE4A (0.53) PDE4APDE4DPDE4CPDE4BRXFP1
SCHEMBL7365389 0.80 PDE4A (0.51) PDE4APDE4DPDE4CPDE4BRXFP1
SCHEMBL7365393 0.80 PDE4A (0.51) PDE4APDE4DPDE4CPDE4BRXFP1
SCHEMBL6636364 0.75 PDE4A (0.71) PDE4APDE4DPDE4CPDE4BRXFP1
SCHEMBL7360388 0.74 PDE4D (0.66) PDE4APDE4DPDE4CPDE4BRXFP1
SCHEMBL7369668 0.74 PDE4A (0.56) PDE4APDE4DPDE4CPDE4BCFTR
SCHEMBL7359713 0.72 PDE4A (0.75) PDE4APDE4DPDE4CPDE4BCFTR
SCHEMBL7361971 0.72 PDE4A (0.60) PDE4APDE4DPDE4CPDE4BRXFP1
SCHEMBL7362755 0.72 PDE4A (0.60) PDE4APDE4DPDE4CPDE4BRXFP1

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