SCHEMBL5503746

SCHEMBL5503746

CN(C)C(=O)c1csc(NC(=O)O)n1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.54
MAPT P10636 4/20 0.46
MAPK1 P28482 1/20 0.46
GFER P55789 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
NPC1 O15118 6/20 0.44
RAB9A P51151 6/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MAPKAPK2 P49137 1/20 0.41
KDM4E B2RXH2 3/20 0.40
LMNA P02545 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 2/20 0.40
TDP1 Q9NUW8 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL16638093 0.84 L3MBTL1 (0.49) L3MBTL1MAPTMAPK1GFERCYP1A2
SCHEMBL3821392 0.79 L3MBTL1 (0.43) L3MBTL1MAPTMAPK1GFERCYP1A2
SCHEMBL19899721 0.78 L3MBTL1 (0.56) L3MBTL1MAPTMAPK1CYP1A2CYP2C19
SCHEMBL27189175 0.77 L3MBTL1 (0.54) L3MBTL1MAPTCYP1A2CYP2C19NPC1
SCHEMBL21066336 0.77 L3MBTL1 (0.54) L3MBTL1MAPTMAPK1GFERCYP1A2
SCHEMBL10274884 0.77 TLR7 (0.45) MAPTMAPK1GFERNPC1RAB9A
SCHEMBL5224240 0.77 L3MBTL1 (0.54) L3MBTL1MAPTMAPK1GFERCYP1A2
SCHEMBL14844533 0.75 L3MBTL1 (0.51) L3MBTL1MAPTMAPK1CYP1A2CYP2C19
SCHEMBL1691061 0.74 MAPT (0.68) L3MBTL1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL21066367 0.74 L3MBTL1 (0.51) L3MBTL1MAPTMAPK1CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1791837-A1 SUBSTITUTED HYDANTOINS FOR THE TREATMENT OF CANCER F. Hoffmann-Roche AG (CH) 2007-06-06 EP disclosed
WO-2006029862-A1 SUBSTITUTED HYDANTOINS FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2006-03-23 WO disclosed