SCHEMBL7860486

SCHEMBL7860486

CCOP(=O)(OCC)C(F)(F)CCc1csc(N)n1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PNP P00491 4/20 0.43
RAB9A P51151 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.39
NOS1 P29475 2/20 0.38
GABRA5 P31644 1/20 0.37
GABRB2 P47870 1/20 0.37
HSD17B10 Q99714 1/20 0.37
NPC1 O15118 3/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TSHR P16473 2/20 0.34

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
SCHEMBL7862798 0.79 GABRA5 (0.45) PNPRAB9ASMN1; SMN2NOS1GABRA5
SCHEMBL1107416 0.76 SMN1; SMN2 (0.43) RAB9ASMN1; SMN2NOS1GABRA5GABRB2
SCHEMBL1107382 0.76 GABRA5 (0.44) RAB9ASMN1; SMN2NOS1GABRA5GABRB2
SCHEMBL12742611 0.72 GABRA5 (0.42) RAB9ASMN1; SMN2NOS1GABRA5GABRB2
SCHEMBL9071396 0.72 GABRA5 (0.42) RAB9ASMN1; SMN2NOS1GABRA5GABRB2
SCHEMBL1107552 0.71 RAB9A (0.46) RAB9ASMN1; SMN2NOS1GABRA5GABRB2
SCHEMBL10624853 0.69 GABRA5 (0.46) RAB9ASMN1; SMN2NOS1GABRA5GABRB2
SCHEMBL12593680 0.68 RAB9A (0.42) RAB9ASMN1; SMN2NOS1GABRA5GABRB2
SCHEMBL5911714 0.68
SCHEMBL1107400 0.67 RAB9A (0.45) RAB9ASMN1; SMN2NOS1GABRA5GABRB2

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