SCHEMBL6829931

SCHEMBL6829931

O=P(O)(O)c1ccc(-c2nc3cc(C(F)(F)F)cc(-c4ccccc4)c3[nH]2)o1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 13/20 0.41
NPBWR1 P48145 1/20 0.37
MET P08581 3/20 0.37
DGAT1 O75907 1/20 0.36
KCNH2 Q12809 1/20 0.36
METAP2 P50579 1/20 0.34
TNKS O95271 1/20 0.34
WNT3A P56704 1/20 0.34
TNKS2 Q9H2K2 1/20 0.34

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
SCHEMBL7725940 0.84 HDAC11 (0.43) FBP1NPBWR1METDGAT1KCNH2
SCHEMBL6826888 0.83 FBP1 (0.38) FBP1
SCHEMBL6826904 0.77 DGAT1 (0.40) FBP1NPBWR1DGAT1KCNH2
SCHEMBL6826910 0.75 NPBWR1 (0.51) NPBWR1DGAT1KCNH2
SCHEMBL6831934 0.70 FBP1 (0.40) FBP1
SCHEMBL6826883 0.70 EGLN1 (0.41) FBP1
SCHEMBL6829765 0.70 MMP2 (0.56) FBP1
SCHEMBL6830822 0.70 FBP1 (0.41) FBP1
SCHEMBL6831919 0.70 FBP1 (0.41) FBP1
SCHEMBL6830165 0.70 FBP1 (0.41) 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