SCHEMBL7861762

SCHEMBL7861762

COP(=O)(O)CC(=O)Nc1nc(C)c(C)s1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.53
NPC1 O15118 10/20 0.53
MAPT P10636 6/20 0.49
ATAD2 Q6PL18 1/20 0.47
PKM P14618 2/20 0.47
ALDH1A1 P00352 3/20 0.47
TP53 P04637 1/20 0.47
SMN1; SMN2 Q16637 7/20 0.46
RCE1 Q9Y256 1/20 0.44
MAPK1 P28482 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
GAA P10253 1/20 0.43
POLB P06746 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL4137199 0.85 ACP1 (0.54) RAB9ANPC1MAPTATAD2PKM
SCHEMBL4132956 0.79 MAPT (0.54) RAB9ANPC1MAPTATAD2PKM
SCHEMBL19724747 0.75 MAPT (0.58) RAB9ANPC1MAPTATAD2PKM
SCHEMBL2837341 0.75 MAPT (0.55) RAB9ANPC1MAPTATAD2PKM
SCHEMBL12354892 0.73 MAPT (0.54) RAB9ANPC1MAPTATAD2PKM
SCHEMBL10812910 0.70 RAB9A (0.68) RAB9ANPC1MAPTATAD2PKM
SCHEMBL16238270 0.70 RAB9A (0.64) RAB9ANPC1MAPTATAD2PKM
SCHEMBL24803898 0.69 RAB9A (1.00) RAB9ANPC1MAPTPKMALDH1A1
SCHEMBL155142 0.69 RAB9A (0.57) RAB9ANPC1MAPTPKMALDH1A1
SCHEMBL2631604 0.68 RAB9A (0.56) RAB9ANPC1MAPTATAD2PKM

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 3 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
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