SCHEMBL4379760

SCHEMBL4379760

O=c1[nH]c(SCc2ccc(F)c(F)c2F)nc2c1CCC2

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.64
LMNA P02545 3/20 0.64
MAPT P10636 2/20 0.63
TSHR P16473 1/20 0.63
MAPK1 P28482 1/20 0.63
MMP13 P45452 6/20 0.62
CYP1A2 P05177 2/20 0.62
CYP2C9 P11712 2/20 0.62
CYP2C19 P33261 2/20 0.62
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
TP53 P04637 2/20 0.58
SPR P35270 1/20 0.55

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
SCHEMBL4373934 0.89 HPGD (0.69) HPGDLMNAMAPTTSHRMAPK1
SCHEMBL4375740 0.84 HPGD (0.76) HPGDLMNAMAPTTSHRMAPK1
SCHEMBL4381941 0.81 MAPT (0.74) HPGDLMNAMAPTTSHRMMP13
SCHEMBL4379759 0.81 CXCR2 (0.42) HPGDLMNAMAPTTSHRMAPK1
SCHEMBL3583066 0.79 MAPT (0.97) HPGDLMNAMAPTTSHRMMP13
SCHEMBL3536006 0.78 MAPT (1.00) HPGDLMNAMAPTTSHRMMP13
SCHEMBL31150997 0.75 HPGD (0.73) HPGDLMNAMAPTTSHRMAPK1
SCHEMBL31150982 0.74 HPGD (0.75) HPGDLMNAMAPTTSHRMAPK1
SCHEMBL22067546 0.74 MMP13 (0.71) MMP13
SCHEMBL5190083 0.74 MAPT (0.79) HPGDLMNAMAPTTSHRMAPK1

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