SCHEMBL4039885

SCHEMBL4039885

O=C(NC(Cc1cccs1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1ccc[n+]([O-])c1)Oc1cc2sccc2s1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
USP2 O75604 1/20 0.31
GAA P10253 1/20 0.31
CTSK P43235 3/20 0.30
CTSB P07858 1/20 0.30
CTSS P25774 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
SCHEMBL4042623 0.91 CTSV (0.32) CTSKCTSS
SCHEMBL4049345 0.90 CTSK (0.38) CTSKCTSBCTSS
SCHEMBL4041786 0.90 CTSK (0.31) KDM4ECTSKCTSBCTSS
SCHEMBL4040945 0.89 CTSK (0.31) CTSK
SCHEMBL4039560 0.89 HCRTR2 (0.33) KDM4ECTSKCTSBCTSS
SCHEMBL4040568 0.85 CTSK (0.36) CTSKCTSBCTSS
SCHEMBL4047167 0.83 USP30 (0.36) CTSKCTSBCTSS
SCHEMBL4043912 0.83 CTSK (0.32) CTSKCTSBCTSS
SCHEMBL4046064 0.82 SMN1; SMN2 (0.35) KDM4EUSP2GAACTSKCTSB
SCHEMBL4052028 0.82 CTSK (0.32) GAACTSK

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