SCHEMBL4043854

SCHEMBL4043854

Cc1c(OC(=O)NC(CC(C)C)C(=O)N2CCC3C2C(=O)CN3S(=O)(=O)c2cccc[n+]2[O-])oc2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSK P43235 18/20 0.39
CTSL P07711 10/20 0.33
CTSS P25774 8/20 0.33
CTSB P07858 3/20 0.33
CTSV O60911 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL4040797 0.93 CTSV (0.33) CTSKCTSLCTSSCTSVL3MBTL1
SCHEMBL4040960 0.93 PREP (0.32) CTSKL3MBTL1
SCHEMBL4043622 0.90 CTSK (0.39) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4045719 0.90 SMN1; SMN2 (0.32) CTSKCTSSCTSB
SCHEMBL4041781 0.86 CTSK (0.39) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4048016 0.85 CTSK (0.46) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4044439 0.84 CTSK (0.41) CTSKCTSLCTSSCTSB
SCHEMBL4047763 0.84 CTSK (0.44) CTSKCTSLCTSSCTSB
SCHEMBL4039790 0.84 CTSK (0.39) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4052113 0.84 CTSK (0.41) CTSKCTSLCTSSCTSB

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