SCHEMBL9700749

SCHEMBL9700749

COc1ccc(-c2ccc(-c3nnn[nH]3)c(=O)[nH]2)cc1OC1CCCC1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 19/20 0.47
PDE4B Q07343 17/20 0.47
PDE4C Q08493 17/20 0.47
PDE4D Q08499 17/20 0.47

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
SCHEMBL9524898 0.80 PDE4A (0.37) PDE4APDE4BPDE4D
SCHEMBL9700632 0.79 PDE4B (0.35) PDE4APDE4BPDE4CPDE4D
SCHEMBL9524493 0.79 XDH (0.43) PDE4APDE4BPDE4CPDE4D
SCHEMBL9526095 0.77 ALOX5 (0.36) PDE4APDE4BPDE4CPDE4D
SCHEMBL9526087 0.77 ALOX5 (0.36) PDE4APDE4BPDE4CPDE4D
SCHEMBL9701913 0.75 KDM4E (0.53) PDE4APDE4BPDE4CPDE4D
SCHEMBL9700635 0.74 GAA (0.39)
SCHEMBL9700666 0.73 ALDH1A1 (0.53)
SCHEMBL9525928 0.72 CYP11B1 (0.33)
SCHEMBL127547 0.71 PDE4A (0.50) 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-1992006085-A1 PHENYLPYRIDINOL DERIVATIVES AS MEDICAMENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1992-04-16 WO claimed
WO-1992006085-A1 PHENYLPYRIDINOL DERIVATIVES AS MEDICAMENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1992-04-16 WO disclosed