SCHEMBL9743642

SCHEMBL9743642

CC(C)(C)c1cc(N2C(=O)C(CSCc3ccccc3)NC2=S)cc(C(C)(C)C)c1O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 11/20 0.69
MAPT P10636 3/20 0.69
RAB9A P51151 2/20 0.69
L3MBTL1 Q9Y468 2/20 0.69
NPC1 O15118 1/20 0.69
ATM Q13315 1/20 0.69
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
KDM4E B2RXH2 1/20 0.39
UBE2N P61088 1/20 0.37
SIRT1 Q96EB6 1/20 0.36
POLB P06746 1/20 0.35
HTT P42858 1/20 0.35
PAX8 Q06710 1/20 0.35
F2R P25116 1/20 0.35
MAOB P27338 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
SCHEMBL9638183 0.82 GAA (1.00) GAAMAPTRAB9AL3MBTL1NPC1
SCHEMBL9638547 0.82 GAA (1.00) GAAMAPTRAB9AL3MBTL1NPC1
SCHEMBL9637329 0.79 GAA (0.84) GAAMAPTRAB9AL3MBTL1NPC1
SCHEMBL9637241 0.78 GAA (0.80) GAAMAPTRAB9AL3MBTL1NPC1
SCHEMBL9638554 0.77 GAA (0.84) GAAMAPTRAB9AL3MBTL1NPC1
SCHEMBL9638260 0.76 GAA (0.73) GAAMAPTRAB9AL3MBTL1NPC1
SCHEMBL9638535 0.75 GAA (0.84) GAAMAPTRAB9AL3MBTL1NPC1
SCHEMBL9638267 0.74 GAA (0.67) GAAMAPTRAB9AL3MBTL1NPC1
SCHEMBL9637298 0.72 GAA (0.67) GAAMAPTRAB9AL3MBTL1NPC1
SCHEMBL9637318 0.70 GAA (0.68) GAAMAPTRAB9AL3MBTL1NPC1

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
JP-4297461-A None JP disclosed
JP-H04297461-A 2-THIOHYDANTOIN DERIVATIVE OTSUKA PHARMACEUT FACTORY INC 1992-10-21 JP disclosed