SCHEMBL6829917

SCHEMBL6829917

CC(C)(C)c1ccc2nc(-c3ccc(P(=O)(O)O)o3)[nH]c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.47
FBP1 P09467 3/20 0.46
HDAC6 Q9UBN7 1/20 0.46
FGFR1 P11362 2/20 0.45
FLT3 P36888 2/20 0.45
CLK4 Q9HAZ1 2/20 0.45
NPBWR1 P48145 1/20 0.45
PLK4 O00444 1/20 0.45
CHEK1 O14757 1/20 0.45
AURKA O14965 1/20 0.45
CHUK O15111 1/20 0.45
PDPK1 O15530 1/20 0.45
JAK2 O60674 1/20 0.45
ROCK2 O75116 1/20 0.45
MAP4K4 O95819 1/20 0.45
PAK4 O96013 1/20 0.45
CHEK2 O96017 1/20 0.45
ABL1 P00519 1/20 0.45
NTRK1 P04629 1/20 0.45
PRKCG P05129 1/20 0.45

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
SCHEMBL6829913 0.91 FBP1 (0.46) METAP2FBP1HDAC6NPBWR1ALDH1A1
SCHEMBL6826910 0.88 NPBWR1 (0.51) NPBWR1SCN10AKCNH2
SCHEMBL6826831 0.84 MAPT (0.48) METAP2KDM4ENPC1ALDH1A1MAPT
SCHEMBL6830048 0.81 AMY1A (0.47) METAP2FBP1CHEK2KDM4ENPC1
SCHEMBL6830171 0.81 MMP13 (0.48) FBP1HDAC6PTK2BKDM4ENPC1
SCHEMBL6830874 0.81 ALOX5 (0.53) METAP2FBP1KDM4ENPC1ALDH1A1
SCHEMBL6831938 0.81 ALDH1A1 (0.48) METAP2FBP1HDAC6NPBWR1KDM4E
SCHEMBL6829687 0.80 GUSB (0.49) METAP2FBP1NPC1RAB9A
SCHEMBL6830174 0.79 CHEK1 (0.60) CLK4NPBWR1CHEK1LIMK1CDK5
SCHEMBL6826904 0.79 DGAT1 (0.40) FBP1NPBWR1KCNH2

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