SCHEMBL6830169

SCHEMBL6830169

O=[N+]([O-])c1ccc2[nH]c(-c3ccc(P(=O)(O)O)o3)nc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.48
MMP9 P14780 3/20 0.48
MMP8 P22894 3/20 0.48
MMP13 P45452 2/20 0.48
CHEK1 O14757 1/20 0.48
LIMK1 P53667 1/20 0.48
CDK5 Q00535 1/20 0.48
CLK4 Q9HAZ1 1/20 0.48
NPBWR1 P48145 8/20 0.47
MAPT P10636 7/20 0.45
NPC1 O15118 6/20 0.45
RAB9A P51151 6/20 0.45
HTT P42858 4/20 0.45
CASP3 P42574 2/20 0.45
SENP8 Q96LD8 2/20 0.45
SENP7 Q9BQF6 2/20 0.45
SENP6 Q9GZR1 2/20 0.45
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
GUSB P08236 2/20 0.44

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
SCHEMBL6830174 0.91 CHEK1 (0.60) MMP2MMP9MMP8MMP13CHEK1
SCHEMBL10689470 0.83 MMP2 (0.70) MMP2MMP9MMP8MMP13CHEK1
SCHEMBL6830046 0.81 FBP1 (0.43) MMP2MMP9MMP8MMP13GUSB
SCHEMBL6830164 0.81 FBP1 (0.42) MMP2MMP9MMP8MMP13MAPT
SCHEMBL6831936 0.81 FBP1 (0.43) MMP2MMP9MMP8MMP13MAPT
SCHEMBL6826824 0.81 FBP1 (0.42) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL6830865 0.81 FBP1 (0.46)
SCHEMBL6829913 0.79 FBP1 (0.46) NPBWR1ALDH1A1LMNAHPGD
SCHEMBL6826904 0.79 DGAT1 (0.40) NPBWR1
SCHEMBL6829765 0.78 MMP2 (0.56) MMP2MMP9MMP8MMP13NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1402895-A1 Benzimidazole inhibitors of fructose 1,6-biphosphatase Metabasis Therapeutics, Inc. (US) 2004-03-31 EP disclosed
EP-0970095-B1 NOVEL BENZIMIDAZOLE INHIBITORS OF FRUCTOSE-1,6-BISPHOSPHATASE METABASIS THERAPEUTICS INC (US) 2003-10-29 EP disclosed
US-6399782-B1 ANTIDIABETIC AGENTS METABASIS THERAPEUTICS, INC. 2002-06-04 US disclosed
US-6110903-A INHIBITORS OF FRUCTOSE-1,6-BISPHOSPHATASE AT THE AMP SITE; ADMINISTERING TO TREAT DIABETES AND INHIBIT GLUCONEOGENESIS; 5-FLUORO-7-BROMO-1-ISOBUTYL-2-(2-PHOSPHONO-5-FURANYL) BENZIMIDAZOLE, FOR EXAMPLE SANKYO COMPANY LTD. (JP) 2000-08-29 US disclosed
EP-0970095-A1 NOVEL BENZIMIDAZOLE INHIBITORS OF FRUCTOSE-1,6-BISPHOSPHATASE Metabasis Therapeutics, Inc. (US) 2000-01-12 EP disclosed
WO-1998039343-A9 NOVEL BENZIMIDAZOLE INHIBITORS OF FRUCTOSE-1,6-BISPHOSPHATASE 1999-01-21 WO disclosed
WO-1998039343-A1 NOVEL BENZIMIDAZOLE INHIBITORS OF FRUCTOSE-1,6-BISPHOSPHATASE METABASIS THERAPEUTICS, INC. (US) 1998-09-11 WO disclosed