SCHEMBL2177090

SCHEMBL2177090

CC(CN[S+]([O-])C(C)(C)C)c1ccc(Nc2nc(Cl)ccc2[N+](=O)[O-])cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.44
HTT P42858 2/20 0.44
FGFR4 P22455 3/20 0.39
MAPK1 P28482 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
CASP3 P42574 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
BRD4 O60885 2/20 0.36
PIN1 Q13526 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
RPS6KB2 Q9UBS0 2/20 0.34
FGFR1 P11362 1/20 0.33
FGFR2 P21802 1/20 0.33
FGFR3 P22607 1/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33

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
SCHEMBL13570773 0.81 MAPT (0.52) MAPTHTTFGFR4MAPK1NPC1
SCHEMBL2177085 0.78 FGFR4 (0.45) MAPTHTTFGFR4MAPK1NPC1
SCHEMBL2173853 0.77 MAPT (0.48) MAPTHTTFGFR4MAPK1NPC1
SCHEMBL9983193 0.74 FGFR4 (0.52) MAPTHTTFGFR4MAPK1NPC1
SCHEMBL13570477 0.73 FGFR4 (0.54) MAPTHTTFGFR4MAPK1NPC1
SCHEMBL2175624 0.73 FGFR4 (0.39) MAPTHTTFGFR4MAPK1NPC1
SCHEMBL718271 0.73 MAPT (0.51) MAPTHTTFGFR4MAPK1NPC1
SCHEMBL30826628 0.73 MAPT (0.47) MAPTHTTFGFR4MAPK1NPC1
SCHEMBL22719050 0.72 MAPT (0.54) MAPTHTTFGFR4MAPK1NPC1
SCHEMBL29535826 0.72 MAPT (0.54) MAPTHTTFGFR4MAPK1NPC1

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-2519522-A2 SUBSTITUTED IMIDAZOPYRIDINYL-AMINOPYRIDINE COMPOUNDS ArQule, Inc. (US) 2012-11-07 EP disclosed
WO-2011082270-A2 SUBSTITUTED IMIDAZOPYRIDINYL-AMINOPYRIDINE COMPOUNDS ARQULE. INC. (US) 2011-07-07 WO disclosed