SCHEMBL27436503

SCHEMBL27436503

C=Cc1c(Br)cc([N+](=O)[O-])c(N)c1CN(C)OC(=O)CCC

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.33
GRIA2 P42262 1/20 0.33
GRIA3 P42263 1/20 0.33
GRIA4 P48058 1/20 0.33
CTSB P07858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
BCL9 O00512 1/20 0.32
CTNNB1 P35222 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31
ALDH1A1 P00352 2/20 0.31
CYP3A4 P08684 1/20 0.31
MEN1 O00255 1/20 0.30
POLB P06746 1/20 0.30
PKM P14618 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL27486507 0.92 GRIA1 (0.34) GRIA1GRIA2GRIA3GRIA4CTSB
SCHEMBL27433911 0.86 GRIA1 (0.36) GRIA1GRIA2GRIA3GRIA4
SCHEMBL7566874 0.80 GRIA1 (0.42) GRIA1GRIA2GRIA3GRIA4CTSB
SCHEMBL7566388 0.79 GRIA1 (0.49) GRIA1GRIA2GRIA3GRIA4L3MBTL1
SCHEMBL27457814 0.77 BCL9 (0.38) GRIA1GRIA2GRIA3GRIA4TDP1
SCHEMBL27459486 0.73 GRIA1 (0.38) GRIA1GRIA2GRIA3GRIA4
SCHEMBL8660079 0.71 ALDH1A1 (0.39) CTSBTDP1ALDH1A1CYP3A4MEN1
SCHEMBL8660076 0.71 ALDH1A1 (0.39) CTSBTDP1ALDH1A1CYP3A4MEN1
SCHEMBL27546229 0.71 GRIA1 (0.33) GRIA1GRIA2GRIA3GRIA4
SCHEMBL27434788 0.64 BCL9 (0.31) BCL9CTNNB1ALDH1A1

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
CN-1125818-C Amino acid derivatives of substituted quinoxaline 2, 3 -dione derivativesa as glutamate receptor antagonists WARNER LAMBERT CO (US) 2003-10-29 CN disclosed
CN-1187190-A Amino acid derivatives of substituted quinoxaline 2, 3-dione derivatives as glutamate receptor antagonists WARNER LAMBERT CO (US) 1998-07-08 CN disclosed