SCHEMBL7865221

SCHEMBL7865221

N#CCC#CCc1sc(N)nc1C(=O)OCP(=O)(O)O

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 10/20 0.60
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 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
SCHEMBL7860530 0.79 FBP1 (0.67) FBP1ALDH1A1CYP1A2
SCHEMBL4135529 0.77 FBP1 (0.80) FBP1ALDH1A1CYP1A2
SCHEMBL7865214 0.77 FBP1 (0.54) FBP1ALDH1A1CYP1A2
SCHEMBL4130111 0.75 FBP1 (1.00) FBP1ALDH1A1CYP1A2
SCHEMBL4128973 0.72 FBP1 (0.83) FBP1ALDH1A1CYP1A2
SCHEMBL4146195 0.72 FBP1 (0.67) FBP1ALDH1A1CYP1A2
SCHEMBL4134494 0.72 FBP1 (0.63) FBP1ALDH1A1CYP1A2
SCHEMBL4120627 0.71 FBP1 (0.62) FBP1ALDH1A1CYP1A2
SCHEMBL4129141 0.69 FBP1 (0.62) FBP1ALDH1A1CYP1A2
SCHEMBL4129770 0.68 FBP1 (0.58) FBP1ALDH1A1CYP1A2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1143955-A3 A COMBINATION OF FBPase INHIBITORS AND INSULIN SENSITIZERS FOR THE TREATMENT OF DIABETES Metabasis Therapeutics Inc. (US) 2002-08-28 EP disclosed
EP-1143955-A2 A COMBINATION OF FBPase INHIBITORS AND INSULIN SENSITIZERS FOR THE TREATMENT OF DIABETES Metabasis Therapeutics Inc. (US) 2001-10-17 EP disclosed
EP-1112275-A1 NOVEL HETEROAROMATIC INHIBITORS OF FRUCTOSE 1,6-BISPHOSPHATASE Metabasis Therapeutics, Inc. (US) 2001-07-04 EP disclosed
WO-2000038666-A2 A COMBINATION OF FBPase INHIBITORS AND INSULIN SENSITIZERS FOR THE TREATMENT OF DIABETES METABASIS THERAPEUTICS, INC. (US) 2000-07-06 WO disclosed
WO-2000014095-A1 NOVEL HETEROAROMATIC INHIBITORS OF FRUCTOSE 1,6-BISPHOSPHATASE METABASIS THERAPEUTICS, INC. (US) 2000-03-16 WO disclosed