SCHEMBL4072856

SCHEMBL4072856

CC(C)(C)NS(=O)(=O)c1ccc(-c2ccccc2-c2cc(-c3ccccn3)c[nH]c2=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.45
PARG Q86W56 1/20 0.44
MAPK10 P53779 1/20 0.41
ALOX5AP P20292 8/20 0.41
FEN1 P39748 8/20 0.41
EDNRB P24530 1/20 0.39
EDNRA P25101 1/20 0.39
POLB P06746 1/20 0.38
KAT6A Q92794 2/20 0.38
JAK2 O60674 1/20 0.38
JAK3 P52333 1/20 0.38
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
PRF1 P14222 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
SCHEMBL4072859 0.78 MAPK10 (0.40) PARGMAPK10ALOX5APFEN1POLB
SCHEMBL16455996 0.76 TNKS (0.53) TNKSPOLB
SCHEMBL1884121 0.75 GRIA1 (0.53) PARGMAPK10ALOX5APFEN1EDNRB
SCHEMBL16456296 0.74 TNKS (0.55) TNKS
SCHEMBL6677948 0.71 TNKS (0.45) TNKS
SCHEMBL15758398 0.70 GRIA1 (0.57) TNKS
SCHEMBL6675172 0.70 TNKS (0.47) TNKS
SCHEMBL687843 0.69 GRIA1 (0.58) TNKS
SCHEMBL10628928 0.68 EDNRA (0.56) ALOX5APFEN1EDNRBEDNRA
SCHEMBL4072861 0.68 MAPK10 (0.44) PARGMAPK10POLBKAT6AJAK2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1300396-B1 1,2-DIHYDROPYRIDINE COMPOUNDS, PROCESS FOR PREPARATION OF THE SAME AND USE THEREOF EISAI R&D MAN CO LTD (JP) 2009-01-14 EP disclosed