SCHEMBL4047038

SCHEMBL4047038

Cc1c(OC(=O)NC(Cc2cccs2)C(=O)N2CCC3C2C(=O)CN3S(=O)(=O)c2ccccn2)oc2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 19/20 0.39
CTSL P07711 19/20 0.39
CTSS P25774 14/20 0.39
CTSB P07858 4/20 0.39
CTSV O60911 2/20 0.39

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
SCHEMBL4046790 0.91 USP30 (0.36) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4045248 0.91 NPC1 (0.33) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4048016 0.90 CTSK (0.46) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4046671 0.89 CTSK (0.41) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4043247 0.89 CTSK (0.39) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4050728 0.89 SMN1; SMN2 (0.33) CTSKCTSSCTSB
SCHEMBL4050878 0.87 CTSK (0.38) CTSKCTSLCTSSCTSB
SCHEMBL4046064 0.87 SMN1; SMN2 (0.35) CTSKCTSSCTSB
SCHEMBL4045719 0.86 SMN1; SMN2 (0.32) CTSKCTSSCTSB
SCHEMBL4046215 0.86 CHRNB2 (0.34) 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