SCHEMBL6830171

SCHEMBL6830171

O=P(O)(O)c1ccc(-c2nc3ccc(Br)cc3[nH]2)o1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 6/20 0.48
MMP2 P08253 5/20 0.48
MMP9 P14780 5/20 0.48
MMP8 P22894 5/20 0.48
MAPT P10636 4/20 0.47
ALDH1A1 P00352 3/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
KDM4E B2RXH2 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TP53 P04637 3/20 0.44
POLB P06746 3/20 0.44
USP2 O75604 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
RECQL P46063 2/20 0.44
CYP2D6 P10635 1/20 0.44
ESR1 P03372 2/20 0.44

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
SCHEMBL6830164 0.90 FBP1 (0.42) MMP13MMP2MMP9MMP8MAPT
SCHEMBL6830048 0.85 AMY1A (0.47) MAPTALDH1A1NPC1RAB9AKDM4E
SCHEMBL6830874 0.85 ALOX5 (0.53) MAPTALDH1A1NPC1RAB9AKDM4E
SCHEMBL6831938 0.85 ALDH1A1 (0.48) MAPTALDH1A1NPC1RAB9AKDM4E
SCHEMBL6826831 0.85 MAPT (0.48) MMP13MMP2MMP9MMP8MAPT
SCHEMBL6826910 0.81 NPBWR1 (0.51)
SCHEMBL6829917 0.81 METAP2 (0.47) MAPTALDH1A1NPC1RAB9AKDM4E
SCHEMBL6830174 0.81 CHEK1 (0.60) MMP13MMP2MMP9MMP8MAPT
SCHEMBL6829765 0.81 MMP2 (0.56) MMP13MMP2MMP9MMP8ALDH1A1
SCHEMBL6830159 0.81 FBP1 (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