SCHEMBL7455158

SCHEMBL7455158

CC(=O)Nc1cc(C)c(S(=O)(=O)NC(C)=O)s1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.47
PKM P14618 4/20 0.43
GAA P10253 3/20 0.43
HSD17B10 Q99714 2/20 0.43
CDK5 Q00535 5/20 0.40
CDK5R1 Q15078 5/20 0.40
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.38
TSHR P16473 2/20 0.38
DHFR P00374 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36

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
SCHEMBL7454568 0.83 ALOX15 (0.47) ALOX15PKMGAAHSD17B10CDK5
SCHEMBL7458964 0.82 ALOX15 (0.48) ALOX15PKMGAAHSD17B10CDK5
SCHEMBL16502965 0.77 L3MBTL1 (0.50) PKMALDH1A1SMN1; SMN2
SCHEMBL5850777 0.73 GAA (0.59) ALOX15PKMGAAHSD17B10CDK5
SCHEMBL17319191 0.68 ALOX15 (0.50) ALOX15PKMGAAHSD17B10CDK5
SCHEMBL9176627 0.65 CA1 (0.62) PKMGAAALDH1A1SMN1; SMN2TSHR
SCHEMBL14507362 0.64 CA1 (0.50) SMN1; SMN2
SCHEMBL7998358 0.63 MAPT (0.65) ALOX15PKMGAAHSD17B10ALDH1A1
SCHEMBL4547691 0.62 SMN1; SMN2 (0.44) PKMGAAHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL12258052 0.61 ALDH1A1 (0.55) GAAALDH1A1SMN1; SMN2TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1129108-A4 CASPASES AND APOPTOSIS SMITHKLINE BEECHAM CORP (US) 2002-01-09 EP disclosed
EP-1129108-A1 CASPASES AND APOPTOSIS SmithKline Beecham Corporation (US) 2001-09-05 EP disclosed
WO-2000020440-A1 CASPASES AND APOPTOSIS SMITHKLINE BEECHAM CORPORATION (US) 2000-04-13 WO disclosed