SCHEMBL4050225

SCHEMBL4050225

CCCC(NC(=O)Oc1cc2ccccc2s1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1cccc[n+]1[O-]

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.35
UTS2R Q9UKP6 1/20 0.33
F2 P00734 2/20 0.32
F10 P00742 2/20 0.32
PREP P48147 1/20 0.31
FAP Q12884 1/20 0.31
ELANE P08246 2/20 0.30
BCHE P06276 1/20 0.30
ACHE P22303 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
SCHEMBL4042329 0.92 CTSK (0.40) CTSKUTS2R
SCHEMBL4043270 0.91 CTSK (0.32) CTSKF2F10
SCHEMBL6241602 0.90 CTSK (0.45) CTSKUTS2RBCHEACHE
SCHEMBL4044587 0.90 CTSK (0.35) CTSKUTS2RPREPFAPELANE
SCHEMBL4049558 0.89 CTSK (0.36) CTSKF2F10ELANEACHE
SCHEMBL4044424 0.88 CTSK (0.34) CTSKF2F10PREPFAP
SCHEMBL4048017 0.88 CTSK (0.34) CTSKF2F10
SCHEMBL4047816 0.86 CTSK (0.33) CTSKF2F10PREPFAP
SCHEMBL4041133 0.86 CTSK (0.36) CTSKF2F10PREPFAP
SCHEMBL4045359 0.86 PREP (0.33) CTSKF2F10PREPFAP

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