SCHEMBL4040702

SCHEMBL4040702

O=C(NC(Cc1cccs1)C(=O)N1CCC2C1C(=O)CN2C(=O)c1ccccn1)Oc1cc2sccc2s1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.38
CTSS P25774 3/20 0.35
CTSL P07711 2/20 0.35
USP30 Q70CQ3 1/20 0.33
ADAM17 P78536 1/20 0.31
CTSB P07858 1/20 0.31

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
SCHEMBL4044727 0.90 CTSK (0.38) CTSKCTSSCTSL
SCHEMBL4046471 0.90 CTSK (0.47) CTSKCTSSCTSLCTSB
SCHEMBL4041899 0.89 CTSK (0.39) CTSKCTSSCTSL
SCHEMBL4047167 0.89 USP30 (0.36) CTSKCTSSUSP30CTSB
SCHEMBL4040568 0.87 CTSK (0.36) CTSKCTSSCTSLCTSB
SCHEMBL4043912 0.85 CTSK (0.32) CTSKCTSSUSP30ADAM17CTSB
SCHEMBL4043944 0.83 CTSK (0.33) CTSKCTSSCTSB
SCHEMBL4050878 0.82 CTSK (0.38) CTSKCTSSCTSLUSP30ADAM17
SCHEMBL4043865 0.81 CTSK (0.36) CTSKCTSSCTSLUSP30CTSB
SCHEMBL4039560 0.81 HCRTR2 (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