SCHEMBL7411482

SCHEMBL7411482

C=CCOc1ccccc1-c1ccc(C(N)=O)c(=O)[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
LIG1 P18858 1/20 0.44
PARP1 P09874 1/20 0.39
BRD4 O60885 2/20 0.39
TSHR P16473 2/20 0.38
GAA P10253 1/20 0.38
GCGR P47871 1/20 0.38
MAPK14 Q16539 1/20 0.38
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
ADRB3 P13945 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA9 Q16790 1/20 0.37
CASP1 P29466 1/20 0.37
PTPRC P08575 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL7646422 0.84 GUSB (0.44) KDM4EBRD4TSHRHPGDHSD17B10
SCHEMBL149188 0.81 KMT2A (0.48) KDM4EBRD4HPGDHSD17B10CASP1
SCHEMBL11625477 0.81 PARP1 (0.42) KDM4ELIG1PARP1TSHRGAA
SCHEMBL7645372 0.81 KMT2A (0.53) KDM4EPARP1BRD4TSHRHPGD
SCHEMBL8069138 0.81 HTT (0.44) KDM4EPARP1BRD4GCGRMAPK14
SCHEMBL7646746 0.80 PDE5A (0.41) BRD4
SCHEMBL7462690 0.77 ALDH1A1 (0.41) KDM4ELIG1TSHRGAAGCGR
SCHEMBL3798396 0.75 KDM4E (0.71) KDM4ELIG1PARP1TSHRGAA
SCHEMBL11711629 0.72 GAA (0.45) LIG1TSHRGAA
SCHEMBL10051830 0.71 IKBKB (0.50) KDM4ELIG1PARP1TSHRGAA

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 8 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
WO-1999059584-A1 COMBINATION OF PHENTOLAMINE AND CYCLIC GMP PHOSPHODIESTERASE INHIBITORS FOR THE TREATMENT OF SEXUAL DYSFUNCTION SCHERING CORPORATION (US) 1999-11-25 WO 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