SCHEMBL6830141

SCHEMBL6830141

O=C(c1ccccc1)c1cccc(-c2cccc3[nH]c(-c4ccc(P(=O)(O)O)o4)nc23)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 4/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CLK2 P49760 1/20 0.38
CLK3 P49761 1/20 0.38
DYRK1A Q13627 1/20 0.38
CNR2 P34972 5/20 0.38
DHODH Q02127 4/20 0.38
PARP1 P09874 2/20 0.38
CNR1 P21554 1/20 0.37
ESR1 P03372 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
COMT P21964 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
Water SCHEMBL1799673 0.99 FBP1 (0.39) FBP1MEN1KMT2AKDM4ENPC1
SCHEMBL12320786 0.79 ESR1 (0.45) FBP1MEN1KMT2AKDM4ENPC1
SCHEMBL7725940 0.74 HDAC11 (0.43) FBP1CNR2PARP1
SCHEMBL6829765 0.71 MMP2 (0.56) FBP1MEN1KMT2AKDM4ENPC1
SCHEMBL4725274 0.68 PDE5A (0.47) FBP1
SCHEMBL12320437 0.67 ESR1 (0.39) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL6830045 0.67 CBFB (0.44) FBP1
SCHEMBL6830820 0.66 CBFB (0.45) FBP1MEN1KMT2AKDM4EALDH1A1
SCHEMBL6830159 0.66 FBP1 (0.41) FBP1DHODH
SCHEMBL6831918 0.66 FBP1 (0.41) FBP1DHODHESR1

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