SCHEMBL14604332

SCHEMBL14604332

O=C(NCc1c(C(=O)O)n(-c2ccccc2)c2cc(Cl)ccc2c1=O)c1ccc(N2CCOCC2)cc1

nearest known ligand 0.85

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 20/20 0.85

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
SCHEMBL14575716 0.92 MAPK8 (1.00) MAPK8
SCHEMBL17366078 0.91 MAPK8 (0.87) MAPK8
SCHEMBL14576885 0.91 MAPK8 (1.00) MAPK8
SCHEMBL14605130 0.89 MAPK8 (0.82) MAPK8
SCHEMBL17360900 0.88 MAPK8 (0.81) MAPK8
SCHEMBL15703710 0.86 MAPK8 (0.84) MAPK8
SCHEMBL14605201 0.86 MAPK8 (0.83) MAPK8
SCHEMBL17360932 0.85 MAPK8 (0.78) MAPK8
SCHEMBL17360980 0.84 MAPK8 (0.86) MAPK8
SCHEMBL17360917 0.84 MAPK8 (0.77) 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 claimed
WO-2013007676-A1 AMINOMETHYL QUINOLONE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2013-01-17 WO claimed