SCHEMBL6586141

SCHEMBL6586141

CC(=O)Nc1cc(OC(=O)O)ccn1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GCK P35557 3/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
PIK3C3 Q8NEB9 6/20 0.46
JAK2 O60674 1/20 0.45
JAK1 P23458 1/20 0.45
TYK2 P29597 1/20 0.45
MAPK14 Q16539 4/20 0.45
RIOK2 Q9BVS4 3/20 0.44
SLC9A3 P48764 1/20 0.44
AAK1 Q2M2I8 1/20 0.43
MAPK13 O15264 1/20 0.42

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
SCHEMBL26805734 0.87 L3MBTL1 (0.49) GCKL3MBTL1PIK3C3JAK2JAK1
SCHEMBL25046382 0.84 L3MBTL1 (0.46) GCKL3MBTL1PIK3C3JAK2JAK1
SCHEMBL30518614 0.84 AAK1 (0.49) GCKL3MBTL1PIK3C3JAK2JAK1
SCHEMBL27638921 0.84 GCK (0.51) GCKJAK2JAK1TYK2RIOK2
SCHEMBL3932265 0.83 RIOK2 (0.57) GCKL3MBTL1PIK3C3RIOK2
SCHEMBL23012567 0.83 SMN1; SMN2 (0.45) GCKL3MBTL1PIK3C3JAK2JAK1
SCHEMBL19736189 0.81 HPGD (0.54) GCKL3MBTL1PIK3C3MAPK14RIOK2
SCHEMBL14872565 0.81 NPC1 (0.55) GCKL3MBTL1PIK3C3AAK1
SCHEMBL23988961 0.79 L3MBTL1 (0.47) GCKL3MBTL1PIK3C3JAK2JAK1
SCHEMBL25912817 0.79 AAK1 (0.48) GCKL3MBTL1PIK3C3RIOK2SLC9A3

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-1362045-B1 2-THIO-SUBSTITUTED IMIDAZOLE DERIVATIVES AND THE USE THEREOF IN THE PHARMACEUTICAL INDUSTRY MERCKLE GMBH (DE) 2004-11-17 EP disclosed
EP-1362045-A2 2-THIO-SUBSTITUTED IMIDAZOLE DERIVATIVES AND THE USE THEREOF IN THE PHARMACEUTICAL INDUSTRY MERCKLE GMBH (DE) 2003-11-19 EP disclosed
WO-2002066458-A2 2-THIO-SUBSTITUTED IMIDAZOLE DERIVATIVES AND THE USE THEREOF IN THE PHARMACEUTICAL INDUSTRY MERCKLE GMBH (DE) 2002-08-29 WO disclosed