SCHEMBL6591072

SCHEMBL6591072

CC(C)C[CH]C(=O)N(C1CCCNC[C@@H]1O)S(=O)(=O)c1ccccn1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.33
KCNH2 Q12809 8/20 0.33
RPLP1 P05386 7/20 0.33
RPLP0 P05388 7/20 0.33
RPS17 P08708 7/20 0.33
RPSA P08865 7/20 0.33
RPS2 P15880 7/20 0.33
RPL35A P18077 7/20 0.33
RPL7 P18124 7/20 0.33
RPL17 P18621 7/20 0.33
RPS4Y1 P22090 7/20 0.33
RPS3 P23396 7/20 0.33
RPS12 P25398 7/20 0.33
RPL13 P26373 7/20 0.33
RPL10 P27635 7/20 0.33
RPL12 P30050 7/20 0.33
RPL9; RPL9P7; RPL9P8; RPL9P9 P32969 7/20 0.33
RPL22 P35268 7/20 0.33
RPL4 P36578 7/20 0.33
RPS19 P39019 7/20 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
SCHEMBL5971336 0.91 IRAK4 (0.33) PTGDR2KCNH2RPLP1RPLP0RPS17
SCHEMBL6590523 0.86 SLC6A2 (0.30) KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL6594372 0.85 RPLP1 (0.38) KCNH2RPLP1RPLP0RPS17RPSA
SCHEMBL4761997 0.84 IRAK4 (0.33) PTGDR2KCNH2RPLP1RPLP0RPS17
SCHEMBL4761916 0.83 PSEN1 (0.33) PTGDR2RPLP1RPLP0RPS17RPSA
SCHEMBL6764532 0.83 CTSK (0.33) PTGDR2KCNH2RPLP1RPLP0RPS17
SCHEMBL6205886 0.81
SCHEMBL5970851 0.81 RPS6KB1 (0.33) KCNH2
SCHEMBL7425666 0.81 CYP3A4 (0.32) EP300
SCHEMBL7009758 0.81

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1307204-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2004-06-02 EP disclosed
EP-1307204-A1 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2003-05-07 EP disclosed
EP-1158986-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2002-03-27 EP disclosed
WO-2001095911-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-12-20 WO disclosed
EP-1158986-A1 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2001-12-05 EP disclosed
WO-2000038687-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-07-06 WO disclosed