SCHEMBL4039158

SCHEMBL4039158

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

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSK P43235 10/20 0.40
GRN P28799 1/20 0.37
SORT1 Q99523 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HCRTR2 O43614 1/20 0.36
CTSL P07711 5/20 0.36
CTSS P25774 4/20 0.36
CTSB P07858 3/20 0.36
ELOVL6 Q9H5J4 1/20 0.34
MMP1 P03956 1/20 0.34
MMP3 P08254 1/20 0.34
MMP9 P14780 1/20 0.34
PIK3CG P48736 1/20 0.34
GPR119 Q8TDV5 1/20 0.33
KCNQ1 P51787 1/20 0.33
KMT2A Q03164 1/20 0.33
SMYD3 Q9H7B4 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
SCHEMBL4046666 0.92 HSD17B10 (0.36) CTSKHSD17B10HCRTR2CTSSELOVL6
SCHEMBL4039165 0.92 CTSK (0.40) CTSKHSD17B10HCRTR2CTSLCTSS
SCHEMBL4046952 0.90 CTSK (0.39) CTSKGRNSORT1CTSLCTSS
SCHEMBL4045238 0.90 CTSK (0.42) CTSKGRNSORT1CTSLCTSS
SCHEMBL4046622 0.90 CTSK (0.40) CTSKGRNSORT1CTSLCTSS
SCHEMBL4047044 0.89 CTSK (0.45) CTSKGRNSORT1CTSLCTSS
SCHEMBL4040677 0.86 CTSK (0.41) CTSKHSD17B10HCRTR2CTSLCTSS
SCHEMBL4051777 0.86 CTSK (0.44) CTSKHSD17B10HCRTR2CTSLCTSS
SCHEMBL4053835 0.85 CTSK (0.40) CTSKGRNSORT1HSD17B10CTSL
SCHEMBL4047618 0.85 CTSK (0.40) CTSKGRNSORT1CTSLCTSS

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