SCHEMBL4041786

SCHEMBL4041786

O=C(NC(Cc1cccs1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1cccc[n+]1[O-])Oc1cc2sccc2s1

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.31
CTSB P07858 1/20 0.31
CTSS P25774 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL4048747 0.90 CTSK (0.39) CTSKCTSBCTSS
SCHEMBL4044554 0.90 CTSV (0.32) CTSKCTSS
SCHEMBL4043270 0.90 CTSK (0.32) CTSK
SCHEMBL4039885 0.90 KDM4E (0.32) CTSKCTSBCTSSKDM4E
SCHEMBL4040568 0.86 CTSK (0.36) CTSKCTSBCTSS
SCHEMBL4039560 0.84 HCRTR2 (0.33) CTSKCTSBCTSSKDM4E
SCHEMBL4045719 0.83 SMN1; SMN2 (0.32) CTSKCTSBCTSS
SCHEMBL4043912 0.83 CTSK (0.32) CTSKCTSBCTSS
SCHEMBL4047167 0.83 USP30 (0.36) CTSKCTSBCTSS
SCHEMBL4043593 0.82 USP2 (0.33) 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