SCHEMBL4381941

SCHEMBL4381941

O=c1[nH]c(SCc2ccc(F)c(F)c2)nc2c1CCC2

nearest known ligand 0.74

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.74
HPGD P15428 7/20 0.73
LMNA P02545 4/20 0.72
MMP13 P45452 3/20 0.72
CYP1A2 P05177 2/20 0.72
CYP2C9 P11712 2/20 0.72
CYP2C19 P33261 2/20 0.72
MEN1 O00255 3/20 0.70
KMT2A Q03164 3/20 0.70
TSHR P16473 1/20 0.70
TP53 P04637 4/20 0.67
SPR P35270 1/20 0.67

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
SCHEMBL3583066 0.86 MAPT (0.97) MAPTHPGDLMNAMMP13CYP1A2
SCHEMBL3536006 0.85 MAPT (1.00) MAPTHPGDLMNAMMP13CYP1A2
SCHEMBL5190083 0.81 MAPT (0.79) MAPTHPGDLMNAMMP13CYP1A2
SCHEMBL4379760 0.81 HPGD (0.64) MAPTHPGDLMNAMMP13CYP1A2
SCHEMBL4381940 0.81 HPGD (0.49) MAPTHPGDLMNAMMP13CYP1A2
SCHEMBL18703535 0.80 SPR (1.00) MAPTHPGDLMNAMMP13CYP1A2
SCHEMBL4375740 0.80 HPGD (0.76) MAPTHPGDLMNAMMP13CYP1A2
SCHEMBL22066283 0.80 MMP13 (0.74) MAPTHPGDLMNAMMP13CYP1A2
SCHEMBL4373934 0.78 HPGD (0.69) MAPTHPGDLMNAMMP13CYP1A2
SCHEMBL29943847 0.78 HPGD (0.67) MAPTHPGDLMNAMMP13CYP1A2

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