SCHEMBL7375974

SCHEMBL7375974

COc1scc(C)c1-c1ccc(C#N)c(=O)[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.48
ALDH1A1 P00352 5/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
GAA P10253 3/20 0.48
GLA P06280 2/20 0.48
MDM2 Q00987 1/20 0.46
RXFP1 Q9HBX9 1/20 0.34
HPGD P15428 3/20 0.34
PDE5A O76074 1/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
PTGS1 P23219 1/20 0.34
PDE4A P27815 1/20 0.34
CYP2C19 P33261 1/20 0.34
BLM P54132 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34

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
SCHEMBL9701360 0.73 MDM2 (0.45) KDM4EALDH1A1L3MBTL1GAAGLA
SCHEMBL7260450 0.69 KDM4E (0.70) KDM4EALDH1A1L3MBTL1GAAGLA
SCHEMBL9701832 0.68 KDM4E (0.77) KDM4EALDH1A1L3MBTL1GAAGLA
SCHEMBL7649493 0.67 KDM4E (0.56) KDM4EALDH1A1L3MBTL1GAAGLA
SCHEMBL9701530 0.66 KDM4E (0.65) KDM4EALDH1A1L3MBTL1GAAGLA
SCHEMBL9526447 0.65 GAA (1.00) KDM4EALDH1A1L3MBTL1GAAGLA
SCHEMBL1201107 0.64 KDM4E (0.53) KDM4EALDH1A1L3MBTL1GAAGLA
SCHEMBL7256598 0.64 PIM1 (0.58) KDM4EALDH1A1L3MBTL1GAAGLA
SCHEMBL27154849 0.64 PIM1 (0.62) KDM4EALDH1A1L3MBTL1GAAGLA
SCHEMBL10985180 0.63 KDM4E (0.55) KDM4EALDH1A1L3MBTL1GAAGLA

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-0428268-A2 Pharmaceutical phenylpyridone derivatives SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1991-05-22 EP claimed
JP-3145466-A None JP disclosed
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
JP-H03145466-A PHENYLPYRIDONE DERIVATIVE SMITH KLINE LTD 1991-06-20 JP disclosed
EP-0428268-A2 Pharmaceutical phenylpyridone derivatives SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1991-05-22 EP disclosed