SCHEMBL2562500

SCHEMBL2562500

CC(C)S(=O)(=O)Nc1ccc(-c2ccccc2C(N)=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.53
MLKL Q8NB16 1/20 0.51
IKBKB O14920 2/20 0.48
CHUK O15111 2/20 0.48
CASP1 P29466 1/20 0.41
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
PGR P06401 1/20 0.40
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
CHEK1 O14757 1/20 0.39
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 2/20 0.38
ALOX5AP P20292 2/20 0.38
FEN1 P39748 2/20 0.38
KDM1A O60341 1/20 0.38
LTB4R2 Q9NPC1 1/20 0.38
FPR2 P25090 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
CHRNB2 P17787 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
SCHEMBL4952483 0.87 KDM1A (0.55) BCAT2MLKLIKBKBCHUKKDM1A
SCHEMBL28201767 0.84 CHUK (0.64) BCAT2IKBKBCHUKKEAP1PGR
SCHEMBL2561570 0.79 CASP1 (0.62) BCAT2IKBKBCHUKCASP1KEAP1
SCHEMBL28203020 0.77 BCAT2 (0.65) BCAT2IKBKBCHUKKEAP1NFE2L2
SCHEMBL5878337 0.76 BCAT2 (0.87) BCAT2IKBKBKEAP1NFE2L2CHEK1
SCHEMBL30600495 0.76 KDM4E (0.50) IRAK4
SCHEMBL5136386 0.76 BCAT2 (0.79) BCAT2IKBKBCHUKKEAP1NFE2L2
SCHEMBL6513331 0.75 GRIA4 (0.54) MLKLKEAP1PGRKDM1A
SCHEMBL30582476 0.75 BCAT2 (0.83) BCAT2IKBKBCHUKKEAP1NFE2L2
SCHEMBL28274346 0.74 BCAT2 (0.70) BCAT2FNTAFNTBCHEK1CHRNB2

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
EP-2382194-A2 COMPOUNDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASE RESVERLOGIX CORP. (CA) 2011-11-02 EP disclosed