SCHEMBL7646385

SCHEMBL7646385

CCCCOc1ccccc1-c1ccc(C#N)c(=O)[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 9/20 0.44
PDE4A P27815 4/20 0.44
PDE4B Q07343 4/20 0.44
PDE4C Q08493 4/20 0.44
PDE4D Q08499 4/20 0.44
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 3/20 0.43
GLA P06280 2/20 0.43
GAA P10253 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MDM2 Q00987 1/20 0.42
HPGD P15428 2/20 0.41
CYP1A2 P05177 3/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP19A1 P11511 1/20 0.40
AR P10275 1/20 0.39
MEN1 O00255 1/20 0.39
PDE2A O00408 1/20 0.39
PDE6D O43924 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
SCHEMBL7644788 0.94 PDE5A (0.45) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7646365 0.88 PDE5A (0.50) PDE5AALDH1A1KDM4EGLAGAA
SCHEMBL9701443 0.83 ALDH1A1 (0.44) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7647019 0.82 XDH (0.45) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL9525541 0.82 ALDH1A1 (0.52) ALDH1A1KDM4EGLAGAAL3MBTL1
SCHEMBL7649493 0.81 KDM4E (0.56) ALDH1A1KDM4EGLAGAAL3MBTL1
SCHEMBL11626841 0.81 PDE5A (0.52) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL9702581 0.81 ALDH1A1 (0.44) PDE5AALDH1A1KDM4EGLAGAA
SCHEMBL9526882 0.81 ALDH1A1 (0.44) ALDH1A1KDM4EGLAGAAL3MBTL1
SCHEMBL7462690 0.80 ALDH1A1 (0.41) PDE5AALDH1A1KDM4EGLAGAA

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0347027-B1 Phenylpyridone derivatives,processes for their preparation and pharmaceutical compositions containing them. SMITH KLINE FRENCH LAB (GB) 1994-08-03 EP claimed
EP-0347027-A2 Phenylpyridone derivatives,processes for their preparation and pharmaceutical compositions containing them. SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1989-12-20 EP claimed
US-6479520-B1 REGULATING APOPTOSIS IN HUMAN CELLS WITH COMPOUNDS SUCH AS: 3-CYANO-6-(2-METHOXY-4-METHYLTHIOIPHENYL)-2(1H)-PYRIDINONE CELL PATHWAYS, INC. 2002-11-12 US disclosed
US-6046216-A USEFUL TO INHIBIT THE GROWTH OF NEOPLASTIC CELLS. CELL PATHWAYS, INC. (US) 2000-04-04 US disclosed
EP-0347027-B1 Phenylpyridone derivatives,processes for their preparation and pharmaceutical compositions containing them. SMITH KLINE FRENCH LAB (GB) 1994-08-03 EP disclosed
US-5254571-A Bronchodilators, antiallergens SMITH KLINE & FRENCH LABORATORIES LTD. (GB) 1993-10-19 US disclosed
EP-0347027-A2 Phenylpyridone derivatives,processes for their preparation and pharmaceutical compositions containing them. SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1989-12-20 EP disclosed