SCHEMBL14604333

SCHEMBL14604333

COC(=O)c1[nH]c2c(-c3ccccc3)c(Cl)ccc2c(=O)c1CNC(=O)c1ccccc1Cl

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 8/20 0.51
LMNA P02545 3/20 0.42
HPGD P15428 1/20 0.42
GAA P10253 1/20 0.39
PARP1 P09874 1/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
GHSR Q92847 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
POLB P06746 1/20 0.37
MCL1 Q07820 1/20 0.37

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
SCHEMBL14603762 0.92 MAPK8 (0.51) MAPK8LMNAHPGDALDH1A1MAPT
SCHEMBL14604020 0.92 MAPK8 (0.51) MAPK8LMNAALDH1A1KDM4ENPC1
SCHEMBL14604008 0.90 MAPK8 (0.48) MAPK8MCL1
SCHEMBL14604229 0.89 MAPK8 (0.49) MAPK8
SCHEMBL14604103 0.88 MAPK8 (0.51) MAPK8
SCHEMBL14604228 0.87 MAPK8 (0.54) MAPK8HPGD
SCHEMBL14604210 0.87 MAPK8 (0.51) MAPK8
SCHEMBL14604194 0.86 MAPK8 (0.51) MAPK8NPC1RAB9AMAPT
SCHEMBL14604014 0.86 MAPK8 (0.51) MAPK8ALDH1A1MCL1
SCHEMBL14604243 0.86 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