SCHEMBL2173853

SCHEMBL2173853

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.48
HTT P42858 2/20 0.48
FGFR4 P22455 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP2D6 P10635 1/20 0.38
RECQL P46063 1/20 0.38
PIN1 Q13526 1/20 0.36
MCL1 Q07820 1/20 0.36
PTK2B Q14289 1/20 0.36
MAPK1 P28482 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 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
SCHEMBL13570773 0.81 MAPT (0.52) MAPTHTTFGFR4MEN1KMT2A
SCHEMBL2173851 0.77 MAPT (0.49) MAPTHTTFGFR4MEN1KMT2A
SCHEMBL2177090 0.77 MAPT (0.44) MAPTHTTFGFR4MEN1KMT2A
SCHEMBL30826628 0.75 MAPT (0.47) MAPTHTTFGFR4MEN1KMT2A
SCHEMBL13570772 0.74 MAPT (0.51) MAPTHTTFGFR4MEN1KMT2A
SCHEMBL27227387 0.73 GSK3A (0.59) MAPTHTTFGFR4MEN1KMT2A
SCHEMBL9983193 0.73 FGFR4 (0.52) MAPTHTTFGFR4MEN1KMT2A
SCHEMBL2174279 0.72 MAPT (0.43) MAPTHTTFGFR4MEN1KMT2A
SCHEMBL2189170 0.72 MAPT (0.43) MAPTHTTFGFR4MEN1KMT2A
SCHEMBL19666472 0.72 PIN1 (0.61) MAPTMEN1KMT2ACYP1A2CYP3A4

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
WO-2011082270-A2 SUBSTITUTED IMIDAZOPYRIDINYL-AMINOPYRIDINE COMPOUNDS ARQULE. INC. (US) 2011-07-07 WO disclosed