SCHEMBL6830874

SCHEMBL6830874

Nc1ccc2nc(-c3ccc(P(=O)(O)O)o3)[nH]c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.53
EPHX2 P34913 1/20 0.53
MEN1 O00255 9/20 0.51
KMT2A Q03164 9/20 0.51
RXFP1 Q9HBX9 3/20 0.51
CACNA1B Q00975 2/20 0.51
APBA1 Q02410 2/20 0.51
GAA P10253 11/20 0.50
MAPT P10636 11/20 0.50
ALDH1A1 P00352 9/20 0.50
KDM4E B2RXH2 9/20 0.50
SMN1; SMN2 Q16637 8/20 0.50
NPC1 O15118 8/20 0.50
RAB9A P51151 8/20 0.50
GLA P06280 5/20 0.50
GFER P55789 3/20 0.50
RECQL P46063 3/20 0.50
HPGD P15428 8/20 0.48
POLB P06746 6/20 0.48
BLM P54132 4/20 0.48

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
SCHEMBL6830865 0.90 FBP1 (0.46) ALOX5EPHX2FBP1
SCHEMBL6826831 0.85 MAPT (0.48) MEN1KMT2AGAAMAPTALDH1A1
SCHEMBL6830048 0.85 AMY1A (0.47) MAPTALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL6831938 0.85 ALDH1A1 (0.48) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL6830171 0.85 MMP13 (0.48) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL6826910 0.81 NPBWR1 (0.51)
SCHEMBL6830174 0.81 CHEK1 (0.60) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL6829917 0.81 METAP2 (0.47) MAPTALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL6829765 0.81 MMP2 (0.56) MEN1KMT2AGAAALDH1A1KDM4E
SCHEMBL6829661 0.81 KDM4E (0.46) MAPTALDH1A1KDM4ESMN1; SMN2NPC1

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