SCHEMBL6879617

SCHEMBL6879617

OCc1ccc(-c2ccc(Cl)cc2)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 6/20 0.47
PIK3CA P42336 1/20 0.45
PI4KA P42356 1/20 0.45
PI4KB Q9UBF8 1/20 0.45
EGLN1 Q9GZT9 2/20 0.45
LTA4H P09960 1/20 0.43
MAP4K4 O95819 5/20 0.41
CYP1A2 P05177 1/20 0.41
KCNH2 Q12809 1/20 0.41
MINK1 Q8N4C8 1/20 0.41
TNIK Q9UKE5 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
GAA P10253 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
S1PR4 O95977 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
SCHEMBL5423047 0.84 NOTUM (0.39) NOTUMPIK3CAPI4KAPI4KBEGLN1
SCHEMBL510846 0.83
SCHEMBL5114909 0.82 PIK3CA (0.46) NOTUMPIK3CAPI4KAPI4KBNPC1
SCHEMBL4592575 0.82 GFER (0.46) NOTUMEGLN1LTA4HMAP4K4CYP1A2
SCHEMBL22184935 0.80 PTGS1 (0.47) NOTUMEGLN1LTA4HCYP1A2KCNH2
SCHEMBL22920103 0.80 PIK3CA (0.45) PIK3CAPI4KAPI4KBEGLN1MAP4K4
SCHEMBL19835433 0.77 NOTUM (0.49) NOTUMMAP4K4CYP1A2KCNH2MINK1
SCHEMBL21770489 0.76 PIK3CA (0.42) PIK3CAPI4KAPI4KBNPC1RAB9A
SCHEMBL4415453 0.76 KIF11 (0.47) NOTUMPIK3CAPI4KAPI4KBMAP4K4
SCHEMBL7497693 0.74 CYP2A6 (0.46) PIK3CAPI4KAPI4KB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1286822-C Pyrimidinone compounds SMITHKLINE BEECHAM PLC (GB) 2006-11-29 CN disclosed
EP-1479671-A1 Pyrimidinone compounds SMITHKLINE BEECHAM PLC (GB) 2004-11-24 EP disclosed
CN-1358175-A Pyrimidinone compounds SMITHKLINE BEECHAM PLC (GB) 2002-07-10 CN 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