SCHEMBL4048747

SCHEMBL4048747

CC(C)CC(NC(=O)Oc1cc2sccc2s1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1cccc[n+]1[O-]

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSK P43235 15/20 0.39
CTSL P07711 6/20 0.33
CTSS P25774 4/20 0.33
CTSB P07858 2/20 0.33
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL4043270 0.93 CTSK (0.32) CTSK
SCHEMBL4044554 0.92 CTSV (0.32) CTSKCTSLCTSS
SCHEMBL4042329 0.91 CTSK (0.40) CTSKCTSLCTSSCTSB
SCHEMBL4041786 0.90 CTSK (0.31) CTSKCTSSCTSB
SCHEMBL4049345 0.89 CTSK (0.38) CTSKCTSLCTSSCTSB
SCHEMBL4049409 0.89 CTSK (0.42) CTSKCTSLCTSSCTSBMEN1
SCHEMBL4044566 0.86 CTSK (0.42) CTSKCTSLCTSSCTSBMEN1
SCHEMBL4045875 0.85 CTSK (0.41) CTSKCTSLCTSSCTSB
SCHEMBL4047763 0.84 CTSK (0.44) CTSKCTSLCTSSCTSBMEN1
SCHEMBL4050225 0.84 CTSK (0.35) CTSK

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