SCHEMBL6830394

SCHEMBL6830394

CC(O)SC(=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
MAPT P10636 2/20 0.44
XBP1 P17861 1/20 0.44
ATM Q13315 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
GPR139 Q6DWJ6 1/20 0.44
KMT2A Q03164 2/20 0.43
CES2 O00748 5/20 0.42
CES1 P23141 5/20 0.42
TSHR P16473 3/20 0.42
DAO P14920 1/20 0.42
NAPRT Q6XQN6 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MDM4 O15151 1/20 0.40
TP53 P04637 1/20 0.40
MDM2 Q00987 1/20 0.40
ALKBH5 Q6P6C2 1/20 0.40
PGR P06401 1/20 0.40
ADRA2A P08913 1/20 0.40

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
SCHEMBL16044915 0.84 MAPT (0.45) LMNAMAPTXBP1ATMSMN1; SMN2
SCHEMBL6057193 0.84 CES2 (0.50) LMNAMAPTXBP1ATMSMN1; SMN2
SCHEMBL6575624 0.81 SMN1; SMN2 (0.44) LMNAMAPTXBP1ATMSMN1; SMN2
SCHEMBL10979998 0.81 GPR139 (0.42) LMNAMAPTXBP1ATMSMN1; SMN2
SCHEMBL7546809 0.81 SMN1; SMN2 (0.44) LMNAMAPTXBP1ATMSMN1; SMN2
SCHEMBL6578239 0.81 SMN1; SMN2 (0.44) LMNAMAPTXBP1ATMSMN1; SMN2
Hydrochloric Acid SCHEMBL11106436 0.79 SMN1; SMN2 (0.42) LMNAMAPTXBP1ATMSMN1; SMN2
SCHEMBL16236134 0.79 GPR139 (0.45) LMNAMAPTXBP1ATMSMN1; SMN2
SCHEMBL16250754 0.79 GPR139 (0.45) LMNAMAPTXBP1ATMSMN1; SMN2
SCHEMBL27838181 0.79 GPR139 (0.49) LMNAMAPTXBP1ATMSMN1; SMN2

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