SCHEMBL14604205

SCHEMBL14604205

COC(=O)c1[nH]c2c(-c3ccccc3)c(OC)ccc2c(=O)c1CNC(=O)c1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 18/20 0.49
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 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
SCHEMBL14604214 0.92 MAPK8 (0.51) MAPK8HTTSMN1; SMN2
SCHEMBL14603845 0.91 MAPK8 (0.50) MAPK8
SCHEMBL14604167 0.91 MAPK8 (0.52) MAPK8SMN1; SMN2
SCHEMBL14604394 0.90 MAPK8 (0.51) MAPK8HTTSMN1; SMN2
SCHEMBL14604243 0.89 MAPK8 (0.51) MAPK8
SCHEMBL14604171 0.86 MAPK8 (0.53) MAPK8
SCHEMBL14604241 0.85 MAPK8 (0.51) MAPK8
SCHEMBL14603998 0.85 MAPK8 (0.53) MAPK8
SCHEMBL14604339 0.83 MAPK8 (0.54) MAPK8HTTSMN1; SMN2
SCHEMBL14604229 0.83 MAPK8 (0.49) 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