SCHEMBL14604229

SCHEMBL14604229

COC(=O)c1ccc(C(=O)NCc2c(C(=O)OC)[nH]c3c(-c4ccccc4)c(Cl)ccc3c2=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 18/20 0.49
GRIN1 Q05586 1/20 0.42

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
SCHEMBL14604008 0.96 MAPK8 (0.48) MAPK8GRIN1
SCHEMBL14604103 0.95 MAPK8 (0.51) MAPK8GRIN1
SCHEMBL14604210 0.94 MAPK8 (0.51) MAPK8GRIN1
SCHEMBL14604243 0.94 MAPK8 (0.51) MAPK8GRIN1
SCHEMBL14604194 0.94 MAPK8 (0.51) MAPK8
SCHEMBL14604228 0.93 MAPK8 (0.54) MAPK8
SCHEMBL14604039 0.92 MAPK8 (0.51) MAPK8GRIN1
SCHEMBL14604266 0.91 MAPK8 (0.53) MAPK8
SCHEMBL14604159 0.90 MAPK8 (0.54) MAPK8
SCHEMBL14604063 0.89 MAPK8 (0.56) MAPK8

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-2731932-A1 AMINOMETHYL QUINOLONE COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2014-05-21 EP disclosed
WO-2013007676-A1 AMINOMETHYL QUINOLONE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2013-01-17 WO disclosed