SCHEMBL6826883

SCHEMBL6826883

O=P(O)(O)c1ccc(-c2nc3c(Br)cc(C(F)(F)F)cc3[nH]2)o1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.41
FBP1 P09467 15/20 0.40
RIPK1 Q13546 1/20 0.40
CBFB Q13951 1/20 0.35
PTPN6 P29350 1/20 0.33

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
SCHEMBL6831937 0.85 FBP1 (0.40) EGLN1FBP1
SCHEMBL6830159 0.85 FBP1 (0.41) FBP1
SCHEMBL7725940 0.83 HDAC11 (0.43) FBP1CBFB
SCHEMBL6826888 0.82 FBP1 (0.38) FBP1
SCHEMBL6826910 0.81 NPBWR1 (0.51) CBFB
SCHEMBL6826904 0.78 DGAT1 (0.40) FBP1CBFB
SCHEMBL6830820 0.73 CBFB (0.45) FBP1CBFB
SCHEMBL6831918 0.73 FBP1 (0.41) FBP1
SCHEMBL6829773 0.72 FBP1 (0.36) FBP1
SCHEMBL6830164 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 4 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