SCHEMBL6829720

SCHEMBL6829720

CCC(CC)(Oc1ccccc1-c1nc2c([N+](=O)[O-])cccc2[nH]1)O[PH](=O)OC(CC)(CC)Oc1ccccc1-c1nc2c([N+](=O)[O-])cccc2[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.51
GAA P10253 1/20 0.51
SI P14410 1/20 0.51
MGAM2 Q2M2H8 1/20 0.51
PKN1 Q16512 1/20 0.45
PKN2 Q16513 1/20 0.45
ADORA3 P0DMS8 1/20 0.44
PARP1 P09874 1/20 0.39
PDE5A O76074 9/20 0.38
PDE4A P27815 4/20 0.36
PDE4B Q07343 4/20 0.36
PDE4C Q08493 4/20 0.36
PDE4D Q08499 4/20 0.36
PTGES O14684 1/20 0.36
CBFB Q13951 1/20 0.35
AMY1A P0DUB6 1/20 0.35
AURKA O14965 1/20 0.34
F2 P00734 1/20 0.34
F10 P00742 1/20 0.34
PLG P00747 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
SCHEMBL6829722 0.93 MGAM (0.50) MGAMGAASIMGAM2PKN1
SCHEMBL7722428 0.82 MGAM (0.52) MGAMGAASIMGAM2PKN1
SCHEMBL4564392 0.79 MGAM (0.64) MGAMGAASIMGAM2PKN1
SCHEMBL6829726 0.78 GUSB (0.40) MGAMGAASIMGAM2PDE5A
SCHEMBL9044494 0.72 MGAM (0.71) MGAMGAASIMGAM2PKN1
SCHEMBL31049691 0.71 GAA (0.64) MGAMGAASIMGAM2PKN1
SCHEMBL8598342 0.70 GAA (0.56) MGAMGAASIMGAM2PKN1
SCHEMBL6511414 0.68 MGAM (1.00) MGAMGAASIMGAM2PKN1
SCHEMBL27961282 0.68 PKN1 (0.79) MGAMGAASIMGAM2PKN1
SCHEMBL7259082 0.67 GAA (0.65) MGAMGAASIMGAM2PKN1

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 5 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-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-A1 NOVEL BENZIMIDAZOLE INHIBITORS OF FRUCTOSE-1,6-BISPHOSPHATASE METABASIS THERAPEUTICS, INC. (US) 1998-09-11 WO disclosed