SCHEMBL7741998

SCHEMBL7741998

O=c1[nH]c(SCc2ccccc2)nc(CCCCCCCCCc2ccccc2)c1Cc1cncnc1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 11/20 0.60
MAOB P27338 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
HPGD P15428 1/20 0.45
GFER P55789 1/20 0.45
DAO P14920 1/20 0.45
XDH P47989 1/20 0.45

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
SCHEMBL8139957 1.00 PLA2G7 (0.60) PLA2G7MAOBSMN1; SMN2NPC1ALDH1A1
SCHEMBL8135226 0.93 PLA2G7 (0.63) PLA2G7MAOBSMN1; SMN2NPC1ALDH1A1
SCHEMBL7013476 0.93 PLA2G7 (0.57) PLA2G7MAOBSMN1; SMN2NPC1ALDH1A1
SCHEMBL8134087 0.90 PLA2G7 (0.51) PLA2G7MAOB
SCHEMBL8139622 0.89 PLA2G7 (0.58) PLA2G7MAOBSMN1; SMN2NPC1ALDH1A1
SCHEMBL8133945 0.89 PLA2G7 (0.65) PLA2G7MAOBSMN1; SMN2NPC1ALDH1A1
SCHEMBL8139443 0.88 PLA2G7 (0.48) PLA2G7MAOBSMN1; SMN2HPGDGFER
SCHEMBL8141412 0.88 PLA2G7 (0.48) PLA2G7MAOBSMN1; SMN2
SCHEMBL8132048 0.88 PLA2G7 (0.60) PLA2G7MAOBSMN1; SMN2NPC1ALDH1A1
SCHEMBL8141713 0.87 PLA2G7 (0.58) PLA2G7MAOBSMN1; SMN2NPC1ALDH1A1

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-1028955-A1 PYRIMIDINONE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SmithKline Beecham p.l.c. (GB) 2000-08-23 EP claimed
WO-1999024420-A1 PYRIMIDINONE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SMITHKLINE BEECHAM PLC (GB) 1999-05-20 WO claimed
US-6417192-B1 DRUGS WITH PYRIMIDONE COMPOUNDS INHIBITORS OF THE ENZYME LDL PLA.SUB.2 AND THEREFORE OF USE IN TREATING ATHEROSCLEROSIS. SMITHKLINE BEECHAM P.L.C. (GB) 2002-07-09 US disclosed