SCHEMBL4049409

SCHEMBL4049409

CC(C)CC(NC(=O)Oc1cccs1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1cccc[n+]1[O-]

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSK P43235 17/20 0.42
CTSL P07711 6/20 0.35
CTSS P25774 5/20 0.35
CTSB P07858 2/20 0.35
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL4044424 0.92 CTSK (0.34) CTSK
SCHEMBL4048747 0.89 CTSK (0.39) CTSKCTSLCTSSCTSBMEN1
SCHEMBL4047640 0.88 CTSK (0.41) CTSKCTSLCTSSCTSBMEN1
SCHEMBL4042329 0.88 CTSK (0.40) CTSKCTSLCTSSCTSB
SCHEMBL4044566 0.88 CTSK (0.42) CTSKCTSLCTSSCTSBMEN1
SCHEMBL4047763 0.88 CTSK (0.44) CTSKCTSLCTSSCTSBMEN1
SCHEMBL4044439 0.86 CTSK (0.41) CTSKCTSLCTSSCTSBMEN1
SCHEMBL4052113 0.86 CTSK (0.41) CTSKCTSLCTSSCTSBMEN1
SCHEMBL4045740 0.85 CTSK (0.51) CTSKCTSLCTSSCTSB
SCHEMBL4043291 0.85 CTSK (0.40) CTSKCTSLCTSSCTSBKMT2A

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