SCHEMBL6693847

SCHEMBL6693847

CNC(=O)C(NCc1ccc(OCc2ccc(SC(F)(F)F)cc2)cc1)C(C)O

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPRZ1 P23471 3/20 0.54
PTPN1 P18031 2/20 0.41
PTPN2 P17706 1/20 0.41
PTPN7 P35236 1/20 0.41
MAOB P27338 2/20 0.40
SCN9A Q15858 2/20 0.40
MAOA P21397 1/20 0.40
PDCD1 Q15116 2/20 0.39
CD274 Q9NZQ7 2/20 0.39
EPHX2 P34913 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
BCHE P06276 1/20 0.38

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
SCHEMBL6693852 1.00 PTPRZ1 (0.54) PTPRZ1PTPN1PTPN2PTPN7MAOB
SCHEMBL6687186 0.87 MAOB (0.46) PTPRZ1PTPN1PTPN2PTPN7MAOB
SCHEMBL6688338 0.86 MAOB (0.53) MAOB
SCHEMBL6688332 0.86 MAOB (0.53) MAOB
SCHEMBL6688302 0.86 PTPRZ1 (0.43) PTPRZ1PTPN1PTPN2PTPN7PDCD1
SCHEMBL6688301 0.86 PTPRZ1 (0.43) PTPRZ1PTPN1PTPN2PTPN7PDCD1
SCHEMBL6691739 0.85 CD274 (0.42) PTPRZ1PDCD1CD274
SCHEMBL6691737 0.85 CD274 (0.42) PTPRZ1PDCD1CD274
SCHEMBL8935445 0.83 BCHE (0.55) MEN1POLBMAPK1KMT2ANPSR1
SCHEMBL3291152 0.83 BCHE (0.55) MEN1POLBMAPK1KMT2ANPSR1

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-2004087125-A1 AMINO ACID DERIVATIVES AS INHIBITORS OF MAMMALIAN SODIUM CHANNELS IONIX PHARMACEUTICALS LIMITED (GB) 2004-10-14 WO disclosed