SCHEMBL7862798

SCHEMBL7862798

Nc1nc(CCC(F)(F)P(=O)(O)O)cs1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 1/20 0.45
GABRB2 P47870 1/20 0.45
HSD17B10 Q99714 1/20 0.45
NOS1 P29475 2/20 0.43
RAB9A P51151 1/20 0.41
AOC3 Q16853 1/20 0.39
PNP P00491 5/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
FBP1 P09467 3/20 0.36
MAPT P10636 1/20 0.35

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
SCHEMBL10624853 0.83 GABRA5 (0.46) GABRA5GABRB2HSD17B10NOS1RAB9A
SCHEMBL7860486 0.79 PNP (0.43) GABRA5GABRB2HSD17B10NOS1RAB9A
SCHEMBL10624819 0.78 GABRA5 (0.44) GABRA5GABRB2HSD17B10NOS1RAB9A
SCHEMBL10624761 0.77 FDPS (0.44) GABRA5GABRB2HSD17B10NOS1RAB9A
SCHEMBL4295158 0.72 SLC6A3 (0.35) PNPSMN1; SMN2
Hydrochloric Acid SCHEMBL2919667 0.69 GABRA5 (0.56) GABRA5GABRB2HSD17B10NOS1RAB9A
SCHEMBL2211332 0.69
SCHEMBL18555264 0.68 GABRA5 (0.48) GABRA5GABRB2HSD17B10NOS1RAB9A
SCHEMBL2655261 0.67 GABRA5 (0.68) GABRA5GABRB2HSD17B10NOS1RAB9A
SCHEMBL307817 0.67

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