SCHEMBL9900977

SCHEMBL9900977

COc1ncc(Cc2c(C)nc(SCCc3ccc(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 9)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 9/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TP53 P04637 1/20 0.40
THRB P10828 2/20 0.39
AR P10275 2/20 0.37
HTT P42858 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
SCHEMBL9900524 0.93 PLA2G7 (0.43) PLA2G7MEN1KMT2ASMN1; SMN2TP53
SCHEMBL9900555 0.90 PLA2G7 (0.47) PLA2G7AR
SCHEMBL9900595 0.88 TP53 (0.46) MEN1KMT2ASMN1; SMN2TP53THRB
SCHEMBL9900226 0.86 SLC22A12 (0.41) PLA2G7MEN1KMT2ASMN1; SMN2TP53
SCHEMBL9900841 0.85 PLA2G7 (0.48) PLA2G7AR
SCHEMBL9106421 0.85 PLA2G7 (0.43) PLA2G7AR
SCHEMBL9900710 0.83 PLA2G7 (0.47) PLA2G7AR
SCHEMBL9107909 0.81 PLA2G7 (0.46) PLA2G7AR
SCHEMBL9901506 0.81 PLA2G7 (0.57) PLA2G7
SCHEMBL16617329 0.78 CYP1A2 (0.37) PLA2G7MEN1KMT2ASMN1; SMN2TP53

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