SCHEMBL8140682

SCHEMBL8140682

COc1ncc(Cc2c(CCc3ccccc3)nc(SCc3ccc(F)c(F)c3)[nH]c2=O)cn1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.49
PLA2G7 Q13093 4/20 0.41
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 2/20 0.40
TSHR P16473 2/20 0.40
CYP2C19 P33261 2/20 0.40
TP53 P04637 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAOB P27338 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
DAO P14920 1/20 0.39
THRB P10828 1/20 0.39
CTSB P07858 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL8133116 0.87 PLA2G7 (0.53) MAPK1PLA2G7MEN1KMT2AMAOB
SCHEMBL8138900 0.82 SMN1; SMN2 (0.49) PLA2G7TSHRTP53MEN1KMT2A
SCHEMBL8134087 0.81 PLA2G7 (0.51) MAPK1PLA2G7MEN1KMT2AMAOB
SCHEMBL4415602 0.80 PLA2G7 (0.56) MAPK1PLA2G7DAO
SCHEMBL8141989 0.79 PLA2G7 (0.48) MAPK1PLA2G7TP53MEN1KMT2A
SCHEMBL8133720 0.78 PLA2G7 (0.52) MAPK1PLA2G7MAOBSMN1; SMN2DAO
SCHEMBL8139546 0.77 MAOB (0.56) PLA2G7TSHRTP53MEN1KMT2A
SCHEMBL8132048 0.76 PLA2G7 (0.60) PLA2G7MAOBSMN1; SMN2DAOCTSB
SCHEMBL8139821 0.75 PLA2G7 (0.53) PLA2G7TSHRMAOBSMN1; SMN2DAO
SCHEMBL8135226 0.75 PLA2G7 (0.63) PLA2G7MAOBSMN1; SMN2DAOALDH1A1

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 2 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