SCHEMBL4373934

SCHEMBL4373934

O=c1[nH]c(SCc2cccc(F)c2F)nc2c1CCC2

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 8/20 0.69
LMNA P02545 4/20 0.69
TSHR P16473 2/20 0.68
MAPK1 P28482 1/20 0.68
TP53 P04637 2/20 0.66
MEN1 O00255 3/20 0.65
KMT2A Q03164 3/20 0.65
MAPT P10636 2/20 0.62
SPR P35270 1/20 0.59
GAA P10253 1/20 0.58
CYP1A2 P05177 2/20 0.58
CYP2C9 P11712 2/20 0.58
CYP2C19 P33261 2/20 0.58
MMP13 P45452 2/20 0.58
CXCR2 P25025 2/20 0.57

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
SCHEMBL4375740 0.91 HPGD (0.76) HPGDLMNATSHRMAPK1TP53
SCHEMBL4379760 0.89 HPGD (0.64) HPGDLMNATSHRMAPK1TP53
SCHEMBL4373932 0.81 CXCR2 (0.54) HPGDLMNATSHRMAPK1CXCR2
SCHEMBL31150982 0.78 HPGD (0.75) HPGDLMNATSHRMAPK1TP53
SCHEMBL3583066 0.78 MAPT (0.97) HPGDLMNATSHRTP53MEN1
SCHEMBL4381941 0.78 MAPT (0.74) HPGDLMNATSHRTP53MEN1
SCHEMBL3536006 0.77 MAPT (1.00) HPGDLMNATSHRTP53MEN1
SCHEMBL5190083 0.75 MAPT (0.79) HPGDLMNATSHRMAPK1TP53
SCHEMBL18703535 0.74 SPR (1.00) HPGDLMNATSHRMAPK1TP53
SCHEMBL31150997 0.74 HPGD (0.73) HPGDLMNATSHRMAPK1TP53

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1686119-B1 Pyrimidine-5-one derivatives as LDL-PLA2 inhibitors SMITHKLINE BEECHAM PLC (GB) 2009-07-29 EP disclosed
EP-1686119-A1 PYRIMIDINE-4-ONE DERIVATIVES AS LDL-PLA2 INHIBITORS SMITHKLINE BEECHAM PLC (GB) 2006-08-02 EP disclosed
EP-1263740-B1 PYRIMIDINE-4-ONE DERIVATIVE AS LDL-PLA2 INHIBITOR SMITHKLINE BEECHAM PLC (GB) 2006-07-19 EP disclosed