SCHEMBL7013476

SCHEMBL7013476

CCCCCCCCCCCc1nc(SCc2ccccc2)[nH]c(=O)c1Cc1cncnc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 5/20 0.57
HPGD P15428 4/20 0.50
ALDH1A1 P00352 3/20 0.50
MAPT P10636 1/20 0.50
GFER P55789 2/20 0.47
SMN1; SMN2 Q16637 4/20 0.46
KMT2A Q03164 1/20 0.46
MAOB P27338 1/20 0.45
CTSB P07858 1/20 0.44
NPC1 O15118 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
DAO P14920 1/20 0.43
POLB P06746 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
SCHEMBL7741998 0.93 PLA2G7 (0.60) PLA2G7HPGDALDH1A1GFERSMN1; SMN2
SCHEMBL8139957 0.93 PLA2G7 (0.60) PLA2G7HPGDALDH1A1GFERSMN1; SMN2
SCHEMBL8135226 0.88 PLA2G7 (0.63) PLA2G7HPGDALDH1A1GFERSMN1; SMN2
SCHEMBL8133945 0.86 PLA2G7 (0.65) PLA2G7HPGDALDH1A1GFERSMN1; SMN2
SCHEMBL8139622 0.84 PLA2G7 (0.58) PLA2G7HPGDALDH1A1GFERSMN1; SMN2
SCHEMBL8141713 0.84 PLA2G7 (0.58) PLA2G7HPGDALDH1A1GFERSMN1; SMN2
SCHEMBL8132048 0.83 PLA2G7 (0.60) PLA2G7HPGDALDH1A1MAPTGFER
SCHEMBL8134087 0.83 PLA2G7 (0.51) PLA2G7KMT2AMAOB
SCHEMBL8138827 0.82 PLA2G7 (0.58) PLA2G7HPGDALDH1A1GFERSMN1; SMN2
SCHEMBL8141412 0.82 PLA2G7 (0.48) PLA2G7SMN1; SMN2MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1028955-B1 PYRIMIDINONE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SMITHKLINE BEECHAM PLC (GB) 2003-07-16 EP claimed