SCHEMBL9900595

SCHEMBL9900595

COc1ncc(Cc2c(C)nc(SCCc3ccc(Oc4cccc(C(F)(F)F)c4)c(C#N)c3)[nH]c2=O)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.46
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
THRB P10828 2/20 0.42
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
RECQL P46063 1/20 0.38
TNF P01375 1/20 0.38
POLB P06746 1/20 0.38
NOD2 Q9HC29 1/20 0.38
NOD1 Q9Y239 1/20 0.38
HTT P42858 1/20 0.35
LMNA P02545 2/20 0.35
HSD17B10 Q99714 1/20 0.35
TSHR P16473 3/20 0.34
KDM4E B2RXH2 1/20 0.34
GFER P55789 1/20 0.34
DAO P14920 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
SCHEMBL16617329 0.90 CYP1A2 (0.37) TP53MEN1KMT2ASMN1; SMN2THRB
SCHEMBL9900956 0.90 PLA2G7 (0.43) MEN1KMT2ATNFPOLBNOD2
SCHEMBL9900977 0.88 PLA2G7 (0.43) TP53MEN1KMT2ASMN1; SMN2THRB
SCHEMBL9106247 0.84 CYP1A2 (0.34) MEN1KMT2ASMN1; SMN2CYP1A2CYP2C9
SCHEMBL9900537 0.84 MEN1 (0.46) TP53MEN1KMT2ATHRBCYP1A2
SCHEMBL9901544 0.82 DAO (0.45) MEN1KMT2ASMN1; SMN2CYP1A2CYP2C9
SCHEMBL9900226 0.81 SLC22A12 (0.41) TP53MEN1KMT2ASMN1; SMN2THRB
SCHEMBL9101782 0.81 PLA2G7 (0.39) CYP1A2CYP2C9CYP2C19RECQL
SCHEMBL9900524 0.81 PLA2G7 (0.43) TP53MEN1KMT2ASMN1; SMN2TSHR
SCHEMBL9901012 0.80 PLA2G7 (0.45) MEN1KMT2ATNFPOLBNOD2

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