SCHEMBL4043598

SCHEMBL4043598

O=C(NC(CC1CCCCC1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1cccc[n+]1[O-])Oc1csc2ccccc12

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSS P25774 3/20 0.37
CTSV O60911 2/20 0.37
CTSL P07711 2/20 0.37
CTSK P43235 3/20 0.31
CTSB P07858 1/20 0.31
F12 P00748 3/20 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
SCHEMBL4214125 0.91 CTSS (0.38) CTSSCTSVCTSLCTSKCTSB
SCHEMBL4042603 0.90 CTSK (0.35) CTSK
SCHEMBL4047132 0.86 CTSS (0.39) CTSSCTSVCTSLCTSKCTSB
SCHEMBL4039394 0.85 CTSL (0.42) CTSSCTSVCTSLCTSKCTSB
SCHEMBL4043670 0.84 CTSV (0.37) CTSSCTSVCTSLF12
SCHEMBL4043552 0.83 CTSS (0.40) CTSSCTSVCTSLCTSKCTSB
SCHEMBL4049892 0.83 CTSS (0.37) CTSSCTSVCTSLCTSKCTSB
SCHEMBL4048674 0.83 CTSS (0.37) CTSSCTSVCTSLCTSKCTSB
SCHEMBL4044554 0.82 CTSV (0.32) CTSSCTSVCTSLCTSK
SCHEMBL4048072 0.81 CTSV (0.39) CTSSCTSVCTSLCTSKF12

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