SCHEMBL5205934

SCHEMBL5205934

CC(=O)NCCOc1nc(OCc2ccc(F)cc2F)c(Cl)c(=O)n1C(C)C

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 18/20 0.46
MAPK11 Q15759 3/20 0.46
MAOB P27338 1/20 0.38
PTGER1 P34995 1/20 0.35

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
SCHEMBL5205668 0.92 MAPK14 (0.47) MAPK14MAPK11
SCHEMBL5201926 0.90 MAPK14 (0.43) MAPK14MAPK11MAOB
SCHEMBL5202629 0.90 MAPK14 (0.45) MAPK14MAPK11
SCHEMBL5206024 0.90 MAPK14 (0.46) MAPK14MAPK11
SCHEMBL5209831 0.87 MAPK14 (0.46) MAPK14MAPK11MAOB
SCHEMBL5201921 0.86 MAPK14 (0.41) MAPK14MAPK11MAOBPTGER1
SCHEMBL5204463 0.86 MAPK14 (0.47) MAPK14MAPK11MAOBPTGER1
SCHEMBL5206786 0.86 MAPK14 (0.43) MAPK14MAPK11MAOBPTGER1
SCHEMBL5202280 0.85 MAPK14 (0.44) MAPK14MAPK11MAOB
Trifluoroacetic Acid SCHEMBL5203957 0.84 MAPK14 (0.43) MAPK14MAPK11MAOBPTGER1

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-1802590-A1 SUBSTITUTED N-ALKYLPYRIMIDINONES Pharmacia & Upjohn Company LLC (US) 2007-07-04 EP claimed
WO-2006040666-A1 SUBSTITUTED N-ALKYLPYRIMIDINONES PHARMACIA & UPJOHN COMPANY LLC (US) 2006-04-20 WO claimed