SCHEMBL9901012

SCHEMBL9901012

N#Cc1cc(CCSc2ncc(Cc3cncnc3)c(=O)[nH]2)ccc1Oc1cccc(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 18/20 0.45
DAO P14920 1/20 0.40
MEN1 O00255 1/20 0.38
TNF P01375 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
NOD2 Q9HC29 1/20 0.38
NOD1 Q9Y239 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
SCHEMBL9900606 0.92 PLA2G7 (0.51) PLA2G7DAOMEN1TNFPOLB
SCHEMBL9900956 0.91 PLA2G7 (0.43) PLA2G7DAOMEN1TNFPOLB
SCHEMBL9901506 0.87 PLA2G7 (0.57) PLA2G7
SCHEMBL9892573 0.86 PLA2G7 (0.35) PLA2G7MEN1TNFPOLBKMT2A
SCHEMBL9901544 0.83 DAO (0.45) PLA2G7DAOMEN1TNFPOLB
SCHEMBL9901970 0.82 DAO (0.50) PLA2G7DAOMEN1TNFPOLB
SCHEMBL9900595 0.80 TP53 (0.46) DAOMEN1TNFPOLBKMT2A
SCHEMBL9900537 0.80 MEN1 (0.46) PLA2G7DAOMEN1TNFPOLB
SCHEMBL9900408 0.80 PLA2G7 (0.56) PLA2G7
SCHEMBL9901101 0.80 PLA2G7 (0.53) PLA2G7DAO

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