SCHEMBL8345109

SCHEMBL8345109

COC(=O)c1ccc(NC(=S)NC(C(=O)Nc2ccccc2C)C(C)(C)C)cc1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.62
NPC1 O15118 3/20 0.62
RAB9A P51151 3/20 0.62
MEN1 O00255 6/20 0.54
KMT2A Q03164 6/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
L3MBTL1 Q9Y468 3/20 0.54
POLB P06746 1/20 0.54
ALOX12 P18054 2/20 0.51
STAT3 P40763 1/20 0.51
LMNA P02545 3/20 0.48
ALDH1A1 P00352 7/20 0.48
GAA P10253 4/20 0.48
KDM4E B2RXH2 2/20 0.48
NFKB1 P19838 1/20 0.46
HTT P42858 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
HPGD P15428 1/20 0.44

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
SCHEMBL6713910 0.90 MAPT (0.61) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL6714247 0.87 MAPT (0.62) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL8346734 0.87 MAPT (0.62) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL6716813 0.87 MAPT (0.62) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL6714044 0.83 MAPT (0.61) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL6715869 0.82 MAPT (0.59) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL6717225 0.81 MAPT (0.58) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL6717221 0.80 MAPT (0.62) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL6713855 0.79 MAPT (0.56) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL6723389 0.79 MAPT (0.56) MAPTNPC1RAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004022534-A1 ARYLGLYCINE DERIVATIVES FOR USE AS GLYCINE TRANSPORT INHIBITORS NPS ALLELIX CORP. (CA) 2004-03-18 WO disclosed