SCHEMBL4045409

SCHEMBL4045409

CC(C)(C)CC(NC(=O)Oc1ccsc1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1ccc[n+]([O-])c1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.35
BCL9 O00512 1/20 0.31
CTNNB1 P35222 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
SCHEMBL4047785 0.93 CTSK (0.32) CTSK
SCHEMBL4049913 0.92 CTSK (0.40) CTSK
SCHEMBL4047188 0.89 CTSK (0.36) CTSK
SCHEMBL4046102 0.88 KCNQ1 (0.38) CTSK
SCHEMBL4040755 0.87 CTSK (0.35) CTSK
SCHEMBL4046591 0.85 CTSK (0.35) CTSK
SCHEMBL4051200 0.84 CTSK (0.44) CTSK
SCHEMBL4044695 0.82 CTSK (0.36) CTSK
SCHEMBL4045941 0.82 CTSK (0.33) CTSK
SCHEMBL4037824 0.82 CTSK (0.36) 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