SCHEMBL6829861

SCHEMBL6829861

O=P(O)(O)c1ccc(-c2nc3ccccc3n2-c2ccncc2)o1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 14/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
GSR P00390 1/20 0.45
ALDH1A1 P00352 1/20 0.43
MAPK1 P28482 1/20 0.43
RECQL P46063 1/20 0.41
MAPKAPK2 P49137 1/20 0.41
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40

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
SCHEMBL6830829 0.91 RECQL (0.49) FBP1L3MBTL1ALDH1A1MAPK1RECQL
SCHEMBL6830819 0.78 FBP1 (0.44) FBP1MAPKAPK2
SCHEMBL6829871 0.78 FBP1 (0.44) FBP1ALDH1A1MAPKAPK2
SCHEMBL6829919 0.73 FBP1 (0.70) FBP1
SCHEMBL15081867 0.70 ESR2 (0.56) GSRALDH1A1MAPK1RECQLESR1
SCHEMBL6830265 0.69 FBP1 (0.46) FBP1
SCHEMBL4725282 0.68 FBP1 (0.60) FBP1
SCHEMBL12116702 0.68 ESR2 (0.65) GSRALDH1A1MAPK1RECQLESR1
SCHEMBL22522510 0.67 ESR2 (0.56) GSRALDH1A1MAPK1RECQLESR1
SCHEMBL22522235 0.67 RAB9A (0.54) GSRALDH1A1MAPK1RECQLESR1

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