SCHEMBL6829773

SCHEMBL6829773

O=[N+]([O-])c1c(F)cc2[nH]c(-c3ccc(P(=O)(O)O)o3)nc2c1Br

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 15/20 0.36
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
MMP8 P22894 1/20 0.35
MMP13 P45452 1/20 0.35
AMY1A P0DUB6 1/20 0.35
CHEK1 O14757 1/20 0.32
LIMK1 P53667 1/20 0.32
CDK5 Q00535 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32

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
SCHEMBL6829896 0.84 FBP1 (0.40) FBP1AMY1A
SCHEMBL6829772 0.84 FBP1 (0.35) FBP1MMP2MMP9MMP8MMP13
SCHEMBL6829893 0.84 FBP1 (0.40) FBP1MMP2MMP9MMP8MMP13
SCHEMBL6831937 0.77 FBP1 (0.40) FBP1
SCHEMBL6830159 0.74 FBP1 (0.41) FBP1
SCHEMBL6829661 0.74 KDM4E (0.46) FBP1CHEK1
SCHEMBL6830169 0.73 MMP2 (0.48) MMP2MMP9MMP8MMP13AMY1A
SCHEMBL6830174 0.73 CHEK1 (0.60) MMP2MMP9MMP8MMP13CHEK1
SCHEMBL6826883 0.72 EGLN1 (0.41) FBP1
SCHEMBL6830183 0.72 FBP1 (0.42) FBP1

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