SCHEMBL4053835

SCHEMBL4053835

CC(C)CC(NC(=O)Oc1cnc2ccccc2n1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)C(=O)c1ccccn1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 16/20 0.40
GRN P28799 1/20 0.38
SORT1 Q99523 1/20 0.38
CTSL P07711 11/20 0.38
CTSS P25774 10/20 0.38
CTSB P07858 4/20 0.38
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CTSV O60911 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PSMB5 P28074 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL4042235 0.93 PREP (0.36) CTSKGRNSORT1CTSLCTSS
SCHEMBL4044864 0.92 CTSK (0.43) CTSKCTSLCTSSCTSBKDM4E
SCHEMBL4047044 0.90 CTSK (0.45) CTSKGRNSORT1CTSLCTSS
SCHEMBL4045238 0.89 CTSK (0.42) CTSKGRNSORT1CTSLCTSS
SCHEMBL4045678 0.88 CTSK (0.49) CTSKGRNSORT1CTSLCTSS
SCHEMBL4047618 0.88 CTSK (0.40) CTSKGRNSORT1CTSLCTSS
SCHEMBL4043256 0.86 CTSK (0.41) CTSKCTSLCTSSCTSBKDM4E
SCHEMBL4045521 0.86 CTSK (0.43) CTSKCTSLCTSSCTSBKDM4E
SCHEMBL4039158 0.85 CTSK (0.40) CTSKGRNSORT1CTSLCTSS
SCHEMBL4045960 0.85 CTSK (0.41) CTSKCTSLCTSSCTSBKDM4E

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