SCHEMBL6869700

SCHEMBL6869700

CCOC(=O)CNCc1ccc(-c2ccc(Cl)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.56
PPID Q08752 4/20 0.53
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
PPIB P23284 1/20 0.48
PPIA P62937 1/20 0.48
PPIG Q13427 1/20 0.48
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
KDM4E B2RXH2 2/20 0.46
THRB P10828 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
EPHX2 P34913 1/20 0.44
RAB9A P51151 1/20 0.44
HPGD P15428 1/20 0.44
MCHR1 Q99705 1/20 0.43

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
SCHEMBL8003720 0.95 MAPT (0.59) MAPTPPIDMEN1KMT2APPIB
SCHEMBL12894961 0.87 PPID (0.58) MAPTPPIDMEN1KMT2APPIB
SCHEMBL11187635 0.83 PPID (0.54) MAPTPPIDKMT2APPIBPPIA
SCHEMBL8252663 0.83 SMN1; SMN2 (0.54) MAPTPPIDMEN1KMT2APPIB
SCHEMBL4424810 0.82 PPID (0.56) MAPTPPIDMEN1KMT2APPIB
SCHEMBL13274941 0.81 HRH3 (0.50) PPIDKMT2AALDH1A1KDM4EMCHR1
SCHEMBL5004061 0.81 ALDH1A1 (0.54) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL16839761 0.81 MAPT (0.57) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL14477029 0.80 PPID (0.51) MAPTPPIDMEN1KMT2APPIB
SCHEMBL13274881 0.80 PPID (0.51) MAPTPPIDMEN1KMT2APPIB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1479671-A1 Pyrimidinone compounds SMITHKLINE BEECHAM PLC (GB) 2004-11-24 EP disclosed
EP-1175408-A1 PYRIMIDINONE COMPOUNDS SMITHKLINE BEECHAM PLC (GB) 2002-01-30 EP disclosed
WO-2000066567-A1 PYRIMIDINONE COMPOUNDS SMITHKLINE BEECHAM PLC (GB) 2000-11-09 WO disclosed