SCHEMBL6830265

SCHEMBL6830265

COc1cccc(-n2c(-c3ccc(P(=O)(O)O)o3)nc3ccc(Cl)cc32)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 10/20 0.46
RPS6KB1 P23443 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.39
THRB P10828 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP1A2 P05177 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
TP53 P04637 1/20 0.37
MAP4K4 O95819 1/20 0.37
AURKB Q96GD4 1/20 0.37
SRPK1 Q96SB4 1/20 0.37

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
SCHEMBL6829871 0.87 FBP1 (0.44) FBP1SMN1; SMN2CYP1A2HTT
SCHEMBL6830819 0.79 FBP1 (0.44) FBP1
SCHEMBL6830829 0.73 RECQL (0.49) FBP1RPS6KB1SMN1; SMN2MEN1KMT2A
SCHEMBL4954387 0.73 FBP1 (0.63) FBP1
SCHEMBL2329222 0.71 RAB9A (0.52) RPS6KB1SMN1; SMN2CYP1A2HTTTP53
SCHEMBL6831921 0.70 FBP1 (0.61) FBP1
SCHEMBL6826818 0.70 FBP1 (0.48) FBP1
SCHEMBL6827107 0.69 FBP1 (0.46) FBP1
SCHEMBL6829861 0.69 FBP1 (0.46) FBP1
SCHEMBL6829940 0.68 EGFR (0.41) 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 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