SCHEMBL6829913

SCHEMBL6829913

CC(C)(C)c1ccc2[nH]c(-c3ccc(P(=O)(O)O)o3)nc2c1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 13/20 0.46
HDAC6 Q9UBN7 2/20 0.39
NPBWR1 P48145 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
METAP2 P50579 1/20 0.37
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL6829917 0.91 METAP2 (0.47) FBP1HDAC6NPBWR1ALDH1A1METAP2
SCHEMBL6826904 0.88 DGAT1 (0.40) FBP1NPBWR1
SCHEMBL6826824 0.84 FBP1 (0.42) FBP1ALDH1A1TP53
SCHEMBL6831936 0.81 FBP1 (0.43) FBP1ALDH1A1HPGDTP53
SCHEMBL6830046 0.81 FBP1 (0.43) FBP1
SCHEMBL6830164 0.81 FBP1 (0.42) FBP1HDAC6ALDH1A1TP53
SCHEMBL6830865 0.81 FBP1 (0.46) FBP1
SCHEMBL6829687 0.80 GUSB (0.49) FBP1METAP2
SCHEMBL6826910 0.79 NPBWR1 (0.51) NPBWR1
SCHEMBL6830169 0.79 MMP2 (0.48) NPBWR1ALDH1A1HPGDLMNA

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