SCHEMBL2175600

SCHEMBL2175600

CC(C)(C)N(C(=O)O)C1(c2ccc(Nc3nc(Cl)ccc3[N+](=O)[O-])cc2)COC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.42
HTT P42858 1/20 0.40
FGFR4 P22455 3/20 0.37
PIN1 Q13526 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
MCL1 Q07820 1/20 0.35
PTK2B Q14289 1/20 0.35
GSK3B P49841 3/20 0.34
POLB P06746 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
AURKA O14965 2/20 0.34
GSK3A P49840 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAPK1 P28482 2/20 0.33
NPC1 O15118 1/20 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
SCHEMBL2175590 1.00 MAPT (0.42) MAPTHTTFGFR4PIN1MEN1
SCHEMBL2189170 0.90 MAPT (0.43) MAPTHTTFGFR4PIN1MEN1
SCHEMBL2174279 0.90 MAPT (0.43) MAPTHTTFGFR4PIN1MEN1
SCHEMBL2173790 0.86 GSK3B (0.36) MAPTPIN1MEN1KMT2ACYP1A2
SCHEMBL2173784 0.86 GSK3B (0.36) MAPTPIN1MEN1KMT2ACYP1A2
SCHEMBL13570614 0.79 MAPT (0.46) MAPTHTTFGFR4PIN1MEN1
SCHEMBL13570615 0.79 MAPT (0.46) MAPTHTTFGFR4PIN1MEN1
SCHEMBL16087100 0.78 MAPT (0.43) MAPTHTTFGFR4PIN1MEN1
Hydrochloric Acid SCHEMBL2176085 0.77 MAPT (0.45) MAPTHTTFGFR4PIN1MEN1
SCHEMBL17093395 0.76 GSK3B (0.37) MAPTHTTPIN1MEN1KMT2A

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