SCHEMBL6075769

SCHEMBL6075769

CCN(C#N)c1nccc(-c2[nH]c(C3OCC(C)(C(=O)O)CO3)nc2-c2ccc(F)cc2)n1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 11/20 0.57
MAPK12 P53778 11/20 0.57
MAPK11 Q15759 11/20 0.57
MAPK14 Q16539 11/20 0.57
SOAT1 P35610 1/20 0.39

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
SCHEMBL5772962 0.90 MAPK13 (0.59) MAPK13MAPK12MAPK11MAPK14SOAT1
SCHEMBL5767418 0.87 MAPK13 (0.63) MAPK13MAPK12MAPK11MAPK14SOAT1
SCHEMBL5772986 0.84 MAPK13 (0.68) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5770478 0.84 MAPK13 (0.61) MAPK13MAPK12MAPK11MAPK14SOAT1
Dimethylformamide SCHEMBL27724184 0.83 MAPK13 (0.59) MAPK13MAPK12MAPK11MAPK14SOAT1
SCHEMBL5769970 0.83 MAPK13 (0.59) MAPK13MAPK12MAPK11MAPK14SOAT1
SCHEMBL27744936 0.83 MAPK13 (0.58) MAPK13MAPK12MAPK11MAPK14SOAT1
SCHEMBL5770567 0.82 MAPK13 (0.61) MAPK13MAPK12MAPK11MAPK14SOAT1
Dimethylamine SCHEMBL5798524 0.82 MAPK13 (0.61) MAPK13MAPK12MAPK11MAPK14SOAT1
SCHEMBL5770918 0.82 MAPK13 (0.62) MAPK13MAPK12MAPK11MAPK14SOAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6989395-B2 Imidazolyl-cyclic acetals AVENTIS PHARMA LIMITED (GB) 2006-01-24 US disclosed