SCHEMBL14604161

SCHEMBL14604161

COC(=O)c1[nH]c2c(-c3ccccc3)c(Cl)ccc2c(=O)c1CBr

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 7/20 0.39
LMNA P02545 2/20 0.38
MAP2 P11137 2/20 0.38
ALDH1A1 P00352 4/20 0.38
USP2 O75604 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPK9 P45984 1/20 0.37
AR P10275 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CSF1R P07333 1/20 0.36
HPGD P15428 2/20 0.36
CYP1A2 P05177 1/20 0.36
XBP1 P17861 1/20 0.36
CYP2C19 P33261 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL14604052 0.89 MAP2 (0.40) MAPK8LMNAMAP2ALDH1A1USP2
Hydrochloric Acid SCHEMBL14604154 0.88 MAP2 (0.40) MAPK8LMNAMAP2ALDH1A1USP2
SCHEMBL14604008 0.85 MAPK8 (0.48) MAPK8
SCHEMBL3634689 0.85 MAPK8 (0.42) MAPK8LMNAALDH1A1USP2TSHR
SCHEMBL12984854 0.84 LMNA (0.44) MAPK8LMNAMAP2ALDH1A1TSHR
SCHEMBL14604240 0.84 MAPK8 (0.37) MAPK8LMNAMAP2ALDH1A1USP2
SCHEMBL14603875 0.84 MAPK8 (0.49) MAPK8ALDH1A1TSHRHSD17B10KDM4E
SCHEMBL3631272 0.84 MAPK8 (0.44) MAPK8LMNAALDH1A1USP2TSHR
SCHEMBL14604333 0.83 MAPK8 (0.51) MAPK8LMNAALDH1A1KMT2AHPGD
SCHEMBL14603856 0.83 MAPK8 (0.49) MAPK8ALDH1A1HSD17B10MEN1KMT2A

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