SCHEMBL9375249

SCHEMBL9375249

CC(CC1CCCCN1)n1nc(-c2cccc([N+](=O)[O-])c2)c2ncccc2c1=O

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 10/20 0.51
PDE4D Q08499 11/20 0.51
PDE4C Q08493 6/20 0.51
PDE4B Q07343 3/20 0.51
RXFP1 Q9HBX9 1/20 0.38
CFTR P13569 3/20 0.37
IDO1 P14902 1/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 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
SCHEMBL9376021 0.87 PDE4A (0.54) PDE4APDE4DPDE4CPDE4BPDE3B
SCHEMBL9379510 0.85 PDE4A (0.51) PDE4APDE4DPDE4CPDE4BRXFP1
SCHEMBL7362749 0.80 PDE4A (0.56) PDE4APDE4DPDE4CPDE4BPDE3B
SCHEMBL7369501 0.80 PDE4A (0.63) PDE4APDE4DPDE4CPDE4BCFTR
SCHEMBL9375241 0.78 PDE4A (0.51) PDE4APDE4DPDE4CPDE4BRXFP1
SCHEMBL7362752 0.78 PDE4A (0.51) PDE4APDE4DPDE4CPDE4BRXFP1
SCHEMBL7360386 0.77 PDE4D (0.58) PDE4APDE4DPDE4CPDE4BPDE3B
SCHEMBL7361965 0.76 PDE4A (0.51) PDE4APDE4DPDE4CPDE4BRXFP1
SCHEMBL9379516 0.74 PDE4A (0.57) PDE4APDE4DPDE4CPDE4BRXFP1
SCHEMBL9375254 0.73 PDE4A (0.63) 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 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