SCHEMBL6013602

SCHEMBL6013602

CN1C(=O)C(=O)[N]c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 3/20 0.47
CES1 P23141 1/20 0.47
MAPT P10636 6/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
DRD2 P14416 2/20 0.39
HTR6 P50406 2/20 0.39
LRRK2 Q5S007 1/20 0.39
RAB9A P51151 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPC1 O15118 2/20 0.38
TRPA1 O75762 1/20 0.38
MTOR P42345 1/20 0.38
EPHX2 P34913 2/20 0.37
APP P05067 1/20 0.36
SNCA P37840 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
SCHEMBL7985252 0.81 TTR (0.53) TTRCES1MAPTALDH1A1MEN1
SCHEMBL2354261 0.79 TTR (0.41) TTRCES1MAPTALDH1A1MEN1
SCHEMBL8559311 0.76 TLR9 (0.31) TTRCES1MAPTALDH1A1MEN1
SCHEMBL9034857 0.76 AADAT (0.36) TTRCES1ALDH1A1KDM4E
SCHEMBL6013595 0.76 ALDH1A1 (0.46) MAPTALDH1A1MEN1HPGDKMT2A
SCHEMBL2338193 0.73 ALDH1A1 (0.50) CES1MAPTALDH1A1MEN1HPGD
SCHEMBL29064856 0.71 ALDH1A1 (0.40) CES1ALDH1A1MEN1HPGDKMT2A
SCHEMBL2228228 0.71 OPRL1 (0.40) DRD2SLC6A4ADRA1AOPRM1
SCHEMBL8555900 0.68 CA12 (0.50) MAPTALDH1A1MEN1HPGDKMT2A
SCHEMBL16127516 0.67 TTR (0.75) TTRCES1MAPTALDH1A1MEN1

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-1711184-A1 (3-OXO-3,4-DIHYDRO-QUINOXALIN-2-YL-AMINO)-BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS GLYCOGEN PHOSPHORYLASE INHIBITORS FOR THE TREATMENT OF DIABETES AND OBESITY JANSSEN PHARMACEUTICA N.V. (BE) 2006-10-18 EP disclosed
WO-2005067932-A1 (3-OXO-3, 4-DIHYDRO-QUINOXALIN-2-YL-AMINO) -BENZAMIDE DERIVATIVES AND RELATED COMPOUND AS GLYCOGEN PHOSPHORYLASE INHIBITORS FOR THE TREATMENT OF DIABETES AND OBESITY JANSSEN PHARMACEUTICA, N.V. (BE) 2005-07-28 WO disclosed