SCHEMBL4045238

SCHEMBL4045238

CC(C)CC(NC(=O)Oc1cnc2ccccc2n1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)C(=O)c1cccnc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 12/20 0.42
GRN P28799 1/20 0.36
SORT1 Q99523 1/20 0.36
MMP1 P03956 1/20 0.34
MMP3 P08254 1/20 0.34
MMP9 P14780 1/20 0.34
ELANE P08246 1/20 0.34
CTSL P07711 5/20 0.33
CTSS P25774 5/20 0.33
CTSB P07858 3/20 0.33
PREP P48147 2/20 0.33
FAP Q12884 1/20 0.33
PSMB5 P28074 1/20 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
SCHEMBL4050283 0.93 PREP (0.35) CTSKMMP1MMP3MMP9ELANE
SCHEMBL4042370 0.92 CTSK (0.42) CTSKMMP1MMP3MMP9ELANE
SCHEMBL4039158 0.90 CTSK (0.40) CTSKGRNSORT1MMP1MMP3
SCHEMBL4053835 0.89 CTSK (0.40) CTSKGRNSORT1CTSLCTSS
SCHEMBL4046952 0.88 CTSK (0.39) CTSKGRNSORT1CTSLCTSS
SCHEMBL4043183 0.86 CTSK (0.43) CTSKMMP1MMP3MMP9ELANE
SCHEMBL4045571 0.86 CTSK (0.46) CTSKMMP1MMP3MMP9ELANE
SCHEMBL4047044 0.86 CTSK (0.45) CTSKGRNSORT1CTSLCTSS
SCHEMBL4039893 0.85 CTSK (0.41) CTSKMMP1MMP3MMP9ELANE
SCHEMBL4041363 0.85 CTSK (0.42) CTSKMMP1MMP3MMP9ELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP claimed