SCHEMBL14604339

SCHEMBL14604339

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

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 9/20 0.54
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPK1 P28482 1/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
TSHR P16473 1/20 0.43
MAPK10 P53779 1/20 0.43
MAPT P10636 1/20 0.43
NR1H4 Q96RI1 1/20 0.42
PDE4D Q08499 1/20 0.42
GAA P10253 1/20 0.42
HTT P42858 1/20 0.42
TLR8 Q9NR97 1/20 0.42
TLR7 Q9NYK1 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
SCHEMBL14604228 0.91 MAPK8 (0.54) MAPK8SMN1; SMN2
SCHEMBL14604229 0.89 MAPK8 (0.49) MAPK8
SCHEMBL14604008 0.89 MAPK8 (0.48) MAPK8
SCHEMBL14604194 0.89 MAPK8 (0.51) MAPK8SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL14604103 0.89 MAPK8 (0.51) MAPK8
SCHEMBL14604057 0.88 MAPK8 (0.54) MAPK8SMN1; SMN2KDM4EALDH1A1GAA
SCHEMBL14604063 0.88 MAPK8 (0.56) MAPK8
SCHEMBL14604343 0.88 MAPK8 (0.55) MAPK8
SCHEMBL14604164 0.88 MAPK8 (0.54) MAPK8
SCHEMBL14604210 0.88 MAPK8 (0.51) 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 4 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
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