SCHEMBL7460244

SCHEMBL7460244

O=C(NCc1ccc(S(=O)(=O)NCO)s1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
HPGD P15428 1/20 0.49
BCL2 P10415 1/20 0.47
BCL2L1 Q07817 1/20 0.47
LOX P28300 3/20 0.46
HTT P42858 1/20 0.42
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
TSHR P16473 1/20 0.42
RECQL P46063 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.42
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL8033818 0.83 HPGD (0.54) CCKBRMEN1KMT2AHPGDBCL2
SCHEMBL7451657 0.83 MEN1 (0.51) CCKBRMEN1KMT2AHPGDBCL2
Hydrochloric Acid SCHEMBL28187724 0.82 HPGD (0.52) CCKBRMEN1KMT2AHPGDBCL2
SCHEMBL1742818 0.82 HPGD (0.52) CCKBRMEN1KMT2AHPGDBCL2
SCHEMBL13881587 0.82 MEN1 (0.54) CCKBRMEN1KMT2AHPGDBCL2
SCHEMBL1742958 0.82 HPGD (0.52) CCKBRMEN1KMT2AHPGDLOX
SCHEMBL12334602 0.80 CCKBR (0.52) CCKBRMEN1KMT2AHPGDBCL2
SCHEMBL5017241 0.80 LOX (0.45) CCKBRMEN1KMT2AHPGDBCL2
SCHEMBL12334072 0.79 CCKBR (0.60) CCKBRMEN1KMT2AHPGDBCL2
SCHEMBL14519924 0.79 MEN1 (0.52) CCKBRMEN1KMT2AHPGDBCL2

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