SCHEMBL4373932

SCHEMBL4373932

O=c1nc(SCc2cccc(F)c2F)[nH]c2c1CCC2

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 17/20 0.54
CHRM5 P08912 1/20 0.49
CX3CR1 P49238 1/20 0.49
HPGD P15428 2/20 0.46
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45

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
SCHEMBL4375736 0.91 ALDH1A1 (0.53) HPGDLMNATSHRMAPK1
SCHEMBL4379759 0.89 CXCR2 (0.42) CXCR2CHRM5CX3CR1HPGDLMNA
SCHEMBL4373934 0.81 HPGD (0.69) CXCR2HPGDLMNATSHRMAPK1
SCHEMBL4845916 0.81 CXCR2 (0.39) CXCR2CHRM5CX3CR1
SCHEMBL3583064 0.78 MAPT (0.64) HPGDLMNA
SCHEMBL4381940 0.78 HPGD (0.49) HPGDLMNATSHR
SCHEMBL3456632 0.78 CXCR2 (0.44) CXCR2CHRM5CX3CR1
SCHEMBL3536004 0.77 MAPT (0.65) HPGDLMNA
SCHEMBL6865116 0.74 CXCR2 (0.53) CXCR2CHRM5CX3CR1
SCHEMBL6997947 0.74 CXCR2 (0.56) CXCR2CHRM5CX3CR1

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