SCHEMBL4046790

SCHEMBL4046790

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

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.36
CTSK P43235 7/20 0.31
CTSS P25774 5/20 0.31
CTSL P07711 4/20 0.31
CTSB P07858 2/20 0.31
CTSV O60911 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
SCHEMBL4047038 0.91 CTSK (0.39) CTSKCTSSCTSLCTSBCTSV
SCHEMBL4049252 0.90 CTSK (0.39) CTSKCTSSCTSLCTSBCTSV
SCHEMBL4041817 0.89 CTSL (0.33) USP30CTSKCTSSCTSLCTSB
SCHEMBL4040090 0.89 PREP (0.36) CTSKCTSSCTSLCTSBCTSV
SCHEMBL4050878 0.89 CTSK (0.38) USP30CTSKCTSSCTSLCTSB
SCHEMBL4042344 0.89 CTSK (0.33) CTSK
SCHEMBL4045248 0.89 NPC1 (0.33) USP30CTSKCTSSCTSLCTSB
SCHEMBL4050728 0.86 SMN1; SMN2 (0.33) CTSKCTSSCTSB
SCHEMBL4046215 0.84 CHRNB2 (0.34) CTSKCTSSCTSB
SCHEMBL4046064 0.84 SMN1; SMN2 (0.35) 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