SCHEMBL7645372

SCHEMBL7645372

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
LMNA P02545 2/20 0.53
MAPT P10636 2/20 0.53
NR1I2 O75469 1/20 0.53
CHRM2 P08172 1/20 0.53
CYP3A4 P08684 1/20 0.53
ADRA2A P08913 1/20 0.53
OPRK1 P41145 1/20 0.53
HTR2B P41595 1/20 0.53
SLC6A3 Q01959 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
CYP1A2 P05177 3/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
HTT P42858 2/20 0.41
KDM4E B2RXH2 5/20 0.41
BRD4 O60885 3/20 0.41
PDE5A O76074 4/20 0.41
PDE4A P27815 2/20 0.40

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
SCHEMBL149188 0.94 KMT2A (0.48) KMT2AMEN1LMNAMAPTNR1I2
SCHEMBL7646422 0.89 GUSB (0.44) KMT2AMEN1LMNAMAPTNR1I2
SCHEMBL8069138 0.83 HTT (0.44) MAPTHTTKDM4EBRD4PDE5A
SCHEMBL7368255 0.82 KDM4E (0.51) KMT2AMEN1LMNAMAPTCYP1A2
SCHEMBL11626599 0.81 MEN1 (0.51) KMT2AMEN1LMNAMAPTNR1I2
SCHEMBL9370768 0.81 KDM4E (0.46) KMT2AMEN1LMNAMAPTCYP1A2
SCHEMBL7411482 0.81 KDM4E (0.44) KDM4EBRD4TSHRPARP1HPGD
SCHEMBL7646403 0.80 PDE5A (0.41) KMT2AMEN1LMNAMAPTNR1I2
SCHEMBL7646746 0.80 PDE5A (0.41) BRD4PDE5APDE4APDE4BPDE4C
SCHEMBL7644598 0.79 KDM4E (0.43) KMT2AMEN1LMNAMAPTKDM4E

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