SCHEMBL6685741

SCHEMBL6685741

COc1ccc2c(Cc3c(Cl)cncc3Cl)nnc(-c3ccccc3C=CC(=O)O)c2c1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 16/20 0.66
PDE4B Q07343 16/20 0.66
PDE4C Q08493 16/20 0.66
PDE4D Q08499 16/20 0.66
ABCG2 Q9UNQ0 1/20 0.39
PTGER1 P34995 1/20 0.39
PTGER3 P43115 1/20 0.39
PTGER2 P43116 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL4699329 0.84 PDE4A (0.71) PDE4APDE4BPDE4CPDE4D
SCHEMBL6688261 0.84 PDE4A (0.71) PDE4APDE4BPDE4CPDE4DABCG2
SCHEMBL6683041 0.83 PDE4A (0.70) PDE4APDE4BPDE4CPDE4D
SCHEMBL6681005 0.83 PDE4A (0.70) PDE4APDE4BPDE4CPDE4D
SCHEMBL6682256 0.81 PDE4A (0.67) PDE4APDE4BPDE4CPDE4D
SCHEMBL6586085 0.80 PDE4A (1.00) PDE4APDE4BPDE4CPDE4D
SCHEMBL4699341 0.78 PDE4D (0.63) PDE4APDE4BPDE4CPDE4D
SCHEMBL4701819 0.77 PDE4A (0.77) PDE4APDE4BPDE4CPDE4D
SCHEMBL4699816 0.76 PDE4A (0.76) PDE4APDE4BPDE4CPDE4D
SCHEMBL4699913 0.76 PDE4A (0.66) PDE4APDE4BPDE4CPDE4D

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
WO-2004056798-A1 PHTHALAZINE DERIVATIVES PHOSPHODIESTERASE 4 INHIBITORS ZAMBON GROUP S.P.A. (IT) 2004-07-08 WO claimed
WO-2004056798-A1 PHTHALAZINE DERIVATIVES PHOSPHODIESTERASE 4 INHIBITORS ZAMBON GROUP S.P.A. (IT) 2004-07-08 WO disclosed