SCHEMBL9900524

SCHEMBL9900524

COc1ncc(Cc2c(C)nc(SCc3ccc(Oc4ccc(Cl)c(C(F)(F)F)c4)c(C#N)c3)[nH]c2=O)cn1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 11/20 0.43
AR P10275 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TP53 P04637 1/20 0.37
KDM4E B2RXH2 1/20 0.36
TSHR P16473 1/20 0.36
GFER P55789 1/20 0.36
BRD4 O60885 1/20 0.36

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
SCHEMBL9900977 0.93 PLA2G7 (0.43) PLA2G7ARMEN1KMT2ASMN1; SMN2
SCHEMBL9900226 0.92 SLC22A12 (0.41) PLA2G7ARMEN1KMT2ASMN1; SMN2
SCHEMBL9900841 0.92 PLA2G7 (0.48) PLA2G7ARKDM4ETSHRGFER
SCHEMBL9900710 0.90 PLA2G7 (0.47) PLA2G7AR
SCHEMBL9901291 0.84 PLA2G7 (0.40) PLA2G7ARMEN1KMT2AKDM4E
SCHEMBL9108483 0.84 PLA2G7 (0.44) PLA2G7AR
SCHEMBL9900555 0.83 PLA2G7 (0.47) PLA2G7AR
SCHEMBL9900816 0.82 PLA2G7 (0.47) PLA2G7AR
SCHEMBL9902064 0.82 SLC22A12 (0.42) PLA2G7ARBRD4
SCHEMBL9108673 0.81 PLA2G7 (0.46) PLA2G7

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