SCHEMBL7802226

SCHEMBL7802226

CSc1ccc(C(NC(C)c2ccc(F)c(F)c2)c2cccc(Nc3c(OC(=O)C(F)(F)F)c(=O)c3=O)c2)cc1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 6/20 0.34
MAPK14 Q16539 1/20 0.32
HSD17B1 P14061 1/20 0.31
HSD17B2 P37059 1/20 0.31

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
SCHEMBL7785475 0.87 MAPKAPK2 (0.33) MAPKAPK2MAPK14
Trifluoroacetic Acid SCHEMBL7785571 0.85 MAPKAPK2 (0.35) MAPKAPK2MAPK14HSD17B1HSD17B2
SCHEMBL7804019 0.85 MAPKAPK2 (0.35) MAPKAPK2MAPK14
SCHEMBL7787476 0.79 MAPKAPK2 (0.39) MAPKAPK2MAPK14
SCHEMBL7780311 0.78 MEN1 (0.39) MAPKAPK2MAPK14
SCHEMBL7787734 0.78 MAPKAPK2 (0.36) MAPKAPK2MAPK14
SCHEMBL7787795 0.78 MAPKAPK2 (0.36) MAPKAPK2MAPK14
SCHEMBL27530390 0.78 KMT2A (0.36) MAPKAPK2HSD17B2
SCHEMBL7780348 0.78 KMT2A (0.41) MAPKAPK2MAPK14
SCHEMBL7784909 0.78 KMT2A (0.41) MAPKAPK2MAPK14

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
EP-1070703-A1 Cyclobutene derivatives Sankyo Company Limited (JP) 2001-01-24 EP disclosed