SCHEMBL7993493

SCHEMBL7993493

O=C(NCP(=O)(O)O)c1cc2cccc([N+](=O)[O-])c2[nH]1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLCG2 P16885 2/20 0.67
APEX1 P27695 2/20 0.62
MAPT P10636 5/20 0.60
MAPK1 P28482 3/20 0.60
NPC1 O15118 2/20 0.60
RAB9A P51151 2/20 0.60
THRB P10828 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
HRH4 Q9H3N8 1/20 0.51
PYGL P06737 1/20 0.48
PYGM P11217 1/20 0.48
FBP1 P09467 3/20 0.41
XDH P47989 1/20 0.40
NSD2 O96028 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL7991465 0.84 PLCG2 (0.60) PLCG2APEX1MAPTMAPK1NPC1
SCHEMBL6215530 0.83 APEX1 (0.70) PLCG2APEX1MAPTMAPK1NPC1
SCHEMBL2304168 0.80 PLCG2 (1.00) PLCG2APEX1MAPTMAPK1NPC1
SCHEMBL7991526 0.80 HRH4 (0.47) PLCG2MAPTMAPK1HRH4PYGL
SCHEMBL7991463 0.79 MAPT (0.58) PLCG2APEX1MAPTMAPK1NPC1
SCHEMBL1277212 0.77 APEX1 (1.00) PLCG2APEX1MAPTMAPK1NPC1
SCHEMBL5268675 0.77 APEX1 (1.00) PLCG2APEX1MAPTMAPK1NPC1
SCHEMBL27964638 0.77 PLCG2 (0.64) PLCG2APEX1MAPTMAPK1NPC1
SCHEMBL1653052 0.76 APEX1 (0.76) PLCG2APEX1MAPTMAPK1NPC1
SCHEMBL1653100 0.76 PLCG2 (0.69) PLCG2APEX1MAPTMAPK1NPC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6294672-B1 FOR THERAPY OF DIABETES, AND OTHER DISEASES WHERE THE INHIBITION OF GLUCONEOGENESIS, CONTROL OF BLOOD GLUCOSE LEVELS, REDUCTION IN GLYCOGEN STORES, OR REDUCTION IN INSULIN LEVELS IS BENEFICIAL METABASIS THERAPEUTICS, INC. 2001-09-25 US disclosed
US-6054587-A ANTIDIABETIC AGENTS METABASIS THERAPEUTICS, INC. (US) 2000-04-25 US disclosed
WO-1998039342-A1 NOVEL INDOLE AND AZAINDOLE INHIBITORS OF FRUCTOSE-1,6-BISPHOSPHATASE METABASIS THERAPEUTICS, INC. (US) 1998-09-11 WO disclosed