SCHEMBL6590069

SCHEMBL6590069

CC(C[CH]C(=O)N(C1CCCNC[C@@H]1O)S(=O)(=O)c1cccnc1)C(N)=O

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
DPP4 P27487 1/20 0.33
DPP9 Q86TI2 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CHRNB2 P17787 2/20 0.32
CHRNA4 P43681 2/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
CHEK1 O14757 3/20 0.32
CDK2AP1 O14519 1/20 0.32
TAS2R14 Q9NYV8 1/20 0.31
IRAK4 Q9NWZ3 7/20 0.31

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
SCHEMBL6589694 0.89 SIGMAR1 (0.34) ALDH1A1IRAK4
SCHEMBL6590708 0.85 CHEK1 (0.30) CHEK1
SCHEMBL6589231 0.84 ALDH1A1 (0.33) ALDH1A1DPP4DPP9DPP7HTT
SCHEMBL5971336 0.84 IRAK4 (0.33) IRAK4
SCHEMBL6586362 0.81 IRAK4 (0.31) IRAK4
SCHEMBL6588480 0.80 IRAK4 (0.31) CHEK1IRAK4
SCHEMBL6610142 0.80
SCHEMBL6594360 0.78
SCHEMBL6594372 0.75 RPLP1 (0.38)
SCHEMBL6589564 0.75

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-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
WO-2001095911-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-12-20 WO disclosed