SCHEMBL9901544

SCHEMBL9901544

COc1ncc(Cc2cnc(SCc3ccc(Oc4cccc(C(F)(F)F)c4)c(C#N)c3)[nH]c2=O)cn1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DAO P14920 3/20 0.45
MEN1 O00255 1/20 0.42
TNF P01375 1/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 1/20 0.42
NOD2 Q9HC29 1/20 0.42
NOD1 Q9Y239 1/20 0.42
PLA2G7 Q13093 9/20 0.41
IDH1 O75874 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
BRD4 O60885 2/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
RECQL P46063 1/20 0.34

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
SCHEMBL9900956 0.93 PLA2G7 (0.43) DAOMEN1TNFPOLBKMT2A
SCHEMBL9900606 0.90 PLA2G7 (0.51) DAOMEN1TNFPOLBKMT2A
SCHEMBL9901970 0.89 DAO (0.50) DAOMEN1TNFPOLBKMT2A
SCHEMBL9902064 0.88 SLC22A12 (0.42) DAOPLA2G7BRD4
SCHEMBL9104737 0.87 KMT2A (0.38) DAOMEN1TNFPOLBKMT2A
SCHEMBL9900710 0.87 PLA2G7 (0.47) PLA2G7
SCHEMBL9901996 0.85 DAO (0.46) DAOMEN1TNFPOLBKMT2A
SCHEMBL9901012 0.83 PLA2G7 (0.45) DAOMEN1TNFPOLBKMT2A
SCHEMBL9900595 0.82 TP53 (0.46) DAOMEN1TNFPOLBKMT2A
SCHEMBL16617329 0.81 CYP1A2 (0.37) MEN1TNFPOLBKMT2ANOD2

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-2649053-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP - PLA2 Glaxo Group Limited (GB) 2013-10-16 EP disclosed
WO-2012076435-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP - PLA2 GLAXO GROUP LIMITED (GB) 2012-06-14 WO disclosed