SCHEMBL6830767

SCHEMBL6830767

O=C(OCCl)c1cncc(Br)c1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2C19 P33261 1/20 0.57
GAA P10253 1/20 0.57
POLB P06746 1/20 0.55
HCAR2 Q8TDS4 1/20 0.55
LMNA P02545 1/20 0.53
KDM4E B2RXH2 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
ALDH1A1 P00352 1/20 0.52
MAPT P10636 3/20 0.51
ATM Q13315 1/20 0.51
KMT2A Q03164 1/20 0.50
PKM P14618 1/20 0.50
HTT P42858 1/20 0.50

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
SCHEMBL29597594 0.84 CYP2C19 (0.70) L3MBTL1CYP1A2CYP3A4CYP2C19GAA
SCHEMBL158686 0.84 CYP2C19 (0.70) L3MBTL1CYP1A2CYP3A4CYP2C19GAA
SCHEMBL18536755 0.81 MAPT (0.64) L3MBTL1CYP1A2CYP3A4CYP2C19GAA
SCHEMBL28076601 0.80 MAPT (0.55) L3MBTL1CYP1A2CYP3A4CYP2C19GAA
SCHEMBL18132197 0.79 ATM (0.64) L3MBTL1CYP1A2CYP3A4CYP2C19GAA
SCHEMBL28813700 0.79 MAPT (0.61) L3MBTL1CYP1A2CYP3A4CYP2C19GAA
SCHEMBL30214356 0.79 CYP2C19 (0.82) L3MBTL1CYP1A2CYP3A4CYP2C19GAA
SCHEMBL4560961 0.79 RAB9A (0.54) L3MBTL1CYP1A2CYP3A4CYP2C19GAA
SCHEMBL13296375 0.79 MAPT (0.76) L3MBTL1CYP1A2CYP3A4CYP2C19GAA
SCHEMBL12997587 0.77 POLB (0.60) L3MBTL1CYP1A2CYP3A4CYP2C19GAA

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