SCHEMBL4045359

SCHEMBL4045359

CCCC(NC(=O)Oc1ccc2ccccc2n1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1cccc[n+]1[O-]

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PREP P48147 1/20 0.33
FAP Q12884 1/20 0.33
CTSK P43235 5/20 0.32
CTSL P07711 1/20 0.32
CTSB P07858 1/20 0.32
CTSS P25774 1/20 0.32
F2 P00734 2/20 0.30
F10 P00742 2/20 0.30
ELANE P08246 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
SCHEMBL4043387 0.93 CTSK (0.40) CTSKCTSLCTSBCTSS
SCHEMBL4048133 0.91 PREP (0.34) PREPFAPCTSK
SCHEMBL4049444 0.90 PREP (0.33) PREPFAPCTSKCTSLCTSB
SCHEMBL4049558 0.88 CTSK (0.36) CTSKF2F10ELANE
SCHEMBL4050225 0.86 CTSK (0.35) PREPFAPCTSKF2F10
SCHEMBL4044872 0.85 CTSK (0.44) PREPFAPCTSKCTSLCTSB
SCHEMBL4041133 0.85 CTSK (0.36) PREPFAPCTSKF2F10
SCHEMBL4048186 0.85 ALDH1A1 (0.36) PREPFAPCTSK
SCHEMBL4044424 0.85 CTSK (0.34) PREPFAPCTSKF2F10
SCHEMBL4047816 0.85 CTSK (0.33) PREPFAPCTSKCTSLCTSB

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