SCHEMBL7647019

SCHEMBL7647019

CC(C)COc1ccccc1-c1ccc(C#N)c(=O)[nH]1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
XDH P47989 7/20 0.45
PDE5A O76074 2/20 0.44
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 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
SLC22A12 Q96S37 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
SCHEMBL7645245 0.86 XDH (0.47) XDHKDM4EALDH1A1GLAGAA
SCHEMBL7646365 0.86 PDE5A (0.50) PDE5AKDM4EALDH1A1GLAGAA
SCHEMBL7644788 0.84 PDE5A (0.45) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7646385 0.82 PDE5A (0.44) XDHPDE5APDE4APDE4BPDE4C
SCHEMBL7649493 0.81 KDM4E (0.56) KDM4EALDH1A1GLAGAAL3MBTL1
SCHEMBL11630723 0.81 PDE5A (0.47) XDHPDE5APDE4APDE4BPDE4C
SCHEMBL7462690 0.80 ALDH1A1 (0.41) PDE5AKDM4EALDH1A1GLAGAA
SCHEMBL7646421 0.80 PDE5A (0.46) XDHPDE5APDE4APDE4BPDE4C
SCHEMBL8069138 0.77 HTT (0.44) XDHPDE5APDE4APDE4BPDE4C
SCHEMBL9524533 0.76 KDM4E (0.54) XDHKDM4EALDH1A1GLAGAA

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