SCHEMBL4040568

SCHEMBL4040568

O=C(NC(Cc1cccs1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1ccccn1)Oc1cc2sccc2s1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 20/20 0.36
CTSL P07711 19/20 0.36
CTSS P25774 18/20 0.36
CTSB P07858 2/20 0.36
CTSV O60911 1/20 0.36

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
SCHEMBL4043912 0.90 CTSK (0.32) CTSKCTSSCTSB
SCHEMBL4047167 0.90 USP30 (0.36) CTSKCTSSCTSB
SCHEMBL4048926 0.90 CTSL (0.39) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4045875 0.90 CTSK (0.41) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4041176 0.89 CTSL (0.36) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4039560 0.88 HCRTR2 (0.33) CTSKCTSSCTSB
SCHEMBL4040702 0.87 CTSK (0.38) CTSKCTSLCTSSCTSB
SCHEMBL4041786 0.86 CTSK (0.31) CTSKCTSSCTSB
SCHEMBL4039885 0.85 KDM4E (0.32) CTSKCTSSCTSB
SCHEMBL4045954 0.85 SMYD3 (0.33) CTSKCTSSCTSB

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