SCHEMBL8194643

SCHEMBL8194643

CC(C)(C)OC(=O)CNc1cc(F)c(C(F)(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
PKM P14618 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 2/20 0.41
STAT3 P40763 1/20 0.39
ALDH1A1 P00352 1/20 0.39
AR P10275 6/20 0.38
PGR P06401 1/20 0.38
CYP3A4 P08684 1/20 0.38
SERPINE1 P05121 1/20 0.36
MAPK1 P28482 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
SCHEMBL8192345 0.84 LMNA (0.41) MEN1PKMKMT2ALMNASTAT3
SCHEMBL5556419 0.82 LMNA (0.43) MEN1KMT2ALMNAALDH1A1AR
SCHEMBL8191430 0.81 ALDH1A1 (0.39) MEN1PKMKMT2ALMNAALDH1A1
SCHEMBL8191133 0.80 LMNA (0.53) MEN1PKMKMT2ALMNAALDH1A1
SCHEMBL20535567 0.79 LMNA (0.44) MEN1PKMKMT2ALMNAALDH1A1
SCHEMBL8190016 0.79 MAPT (0.41) MEN1PKMKMT2ALMNASTAT3
SCHEMBL21501953 0.78 LMNA (0.52) MEN1PKMKMT2ALMNASTAT3
SCHEMBL25139738 0.77 ALDH1A1 (0.53) MEN1PKMKMT2ALMNAALDH1A1
SCHEMBL4892197 0.76 MEN1 (0.47) MEN1PKMKMT2ALMNASTAT3
SCHEMBL26830787 0.76 MAPT (0.56) MEN1KMT2ALMNAALDH1A1MAPK1

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
US-6096743-A 1,2,3,4-tetrahydroquinoxalinedione derivative YAMANOUCHI PHARMACEUTICALS CO., LTD. (JP) 2000-08-01 US disclosed
EP-0784054-A1 1,2,3,4-TETRAHYDROQUINOXALINEDIONE DERIVATIVE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1997-07-16 EP disclosed