SCHEMBL13611309

SCHEMBL13611309

COC(=O)CN(CC(=O)O)c1ccc(CS)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.38
PTPN6 P29350 1/20 0.38
PTPN11 Q06124 1/20 0.38
ALDH1A1 P00352 1/20 0.38
IDO1 P14902 1/20 0.37
MAPT P10636 1/20 0.36
RAB9A P51151 2/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
KMT2A Q03164 1/20 0.36
NOX1 Q9Y5S8 1/20 0.36
NR1I2 O75469 1/20 0.35
MAOB P27338 1/20 0.35
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
PLA2G2A P14555 1/20 0.35
BLM P54132 1/20 0.35
MLYCD O95822 1/20 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
SCHEMBL13611307 0.86 CYP4F2 (0.39) PTPN1PTPN6PTPN11ALDH1A1MAPT
SCHEMBL9949291 0.83 MAPT (0.47) ALDH1A1MAPTRAB9AMEN1NPC1
SCHEMBL13680117 0.83 KEAP1 (0.46) PTPN1ALDH1A1MAPTRAB9AKMT2A
SCHEMBL13603850 0.83 ALDH1A1 (0.40) ALDH1A1MAPTRAB9ANR1I2KEAP1
SCHEMBL3841166 0.82 TDP1 (0.44) PTPN1PTPN6PTPN11ALDH1A1RAB9A
SCHEMBL13645020 0.81 ALDH1A1 (0.43) PTPN1PTPN6PTPN11ALDH1A1MAPT
SCHEMBL13603842 0.81 KEAP1 (0.52) ALDH1A1MAPTRAB9ANPC1NOX1
SCHEMBL13603843 0.81 ALDH1A1 (0.42) ALDH1A1MAPTRAB9AMEN1NPC1
SCHEMBL13603864 0.80 MAPT (0.48) ALDH1A1MAPTRAB9AMEN1NPC1
SCHEMBL13603857 0.80 ALDH1A1 (0.41) PTPN1PTPN6PTPN11ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7635181-B2 Ink for ink jet-recording curable through irradiation with a radioactive ray and method for preparing lithographic printing plates using the same FUJIFILM CORPORATION (JP) 2009-12-22 US disclosed
US-7582410-B2 butadiene-styrene copolymer binder and a compound which undergoes decarboxylation due to heat, generates carbon dioxide gas, assists thermal decomposition of the coexisting binder polymer; high engraving sensitivity with low laser energy; forming flexographic printing plate FUJIFILM CORPORATION (JP) 2009-09-01 US disclosed
US-7416835-B2 Polymerizable composition FUJIFILM CORPORATION (JP) 2008-08-26 US disclosed
US-20080038663-A1 butadiene-styrene copolymer binder and a compound which undergoes decarboxylation due to heat, generates carbon dioxide gas, assists thermal decomposition of the coexisting binder polymer; high engraving sensitivity with low laser energy; forming flexographic printing plate FUJIFILM CORPORATION (JP) 2008-02-14 US disclosed