SCHEMBL7434860

SCHEMBL7434860

COc1cccc(S(=O)(=O)N(C(=O)[CH]CC(C)C)C2CCCNCC2=O)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.39
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
GHSR Q92847 1/20 0.35
EED O75530 1/20 0.34
RORC P51449 1/20 0.34
TAS2R14 Q9NYV8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HTR6 P50406 3/20 0.33
DAGLA Q9Y4D2 1/20 0.33
HSD11B1 P28845 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
CHRM5 P08912 1/20 0.33

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
SCHEMBL7426764 1.00 KCNA5 (0.39) KCNA5PSEN1PSEN2APH1BNCSTN
SCHEMBL7434320 0.88 KCNA5 (0.36) KCNA5PSEN1PSEN2APH1BNCSTN
SCHEMBL7434871 0.85 KCNA5 (0.39) KCNA5PSEN1PSEN2APH1BNCSTN
SCHEMBL7431793 0.82 KCNA5 (0.38) KCNA5PSEN1PSEN2APH1BNCSTN
SCHEMBL7424733 0.82 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4762346 0.81 PSEN1 (0.38) KCNA5PSEN1PSEN2APH1BNCSTN
SCHEMBL4765458 0.80 HTR6 (0.40) KCNA5PSEN1PSEN2APH1BNCSTN
SCHEMBL4762983 0.79 PSEN1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6590944 0.79 PSEN1 (0.31) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4761958 0.79 PSEN1 (0.31) PSEN1PSEN2APH1BNCSTNAPH1A

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-1158986-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2002-03-27 EP claimed
EP-1158986-A1 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2001-12-05 EP claimed
WO-2000038687-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-07-06 WO claimed