SCHEMBL8347237

SCHEMBL8347237

O=C(Nc1cccc2ccccc12)C(NC(=S)Nc1ccccc1[N+](=O)[O-])c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 8/20 0.46
KMT2A Q03164 8/20 0.46
ALDH1A1 P00352 5/20 0.46
GAA P10253 3/20 0.46
KDM4E B2RXH2 1/20 0.46
NPY5R Q15761 2/20 0.46
LMNA P02545 2/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
PTPN1 P18031 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
SCHEMBL6717195 0.85 MAPT (0.54) MAPTL3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL6716834 0.85 ALDH1A1 (0.56) MAPTL3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL6715742 0.85 NPC1 (0.56) MAPTL3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL6713812 0.85 ALDH1A1 (0.56) MAPTL3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL6717232 0.84 ALDH1A1 (0.53) MAPTL3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL6717122 0.84 MAPT (0.50) MAPTL3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL6723832 0.84 SMN1; SMN2 (0.54) MAPTL3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL6717690 0.83 POLB (0.47) MAPTL3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL6716905 0.83 KDM4E (0.58) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL6713795 0.83 ALDH1A1 (0.54) MAPTL3MBTL1NPC1RAB9ASMN1; SMN2

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