SCHEMBL4041133

SCHEMBL4041133

CCCC(NC(=O)Oc1ccc(-c2ccccc2)cc1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1cccc[n+]1[O-]

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSK P43235 8/20 0.36
F2 P00734 2/20 0.32
F10 P00742 2/20 0.32
P2RY12 Q9H244 2/20 0.31
PREP P48147 1/20 0.30
FAP Q12884 1/20 0.30
ELANE P08246 1/20 0.30
CCR1 P32246 1/20 0.30
ALDH1A1 P00352 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL4047763 0.92 CTSK (0.44) CTSK
SCHEMBL4049558 0.91 CTSK (0.36) CTSKF2F10ELANECCR1
SCHEMBL4044695 0.90 CTSK (0.36) CTSKP2RY12
SCHEMBL4044073 0.89 CTSK (0.33) CTSKF2F10PREPFAP
SCHEMBL4045941 0.89 CTSK (0.33) CTSKF2F10PREPFAP
SCHEMBL6237568 0.89 CTSK (0.46) CTSKP2RY12PREPFAPCCR1
SCHEMBL4045552 0.89 ITGB3 (0.37) CTSK
SCHEMBL4048017 0.89 CTSK (0.34) CTSKF2F10
SCHEMBL4050306 0.88 PKM (0.36) CTSKF2F10ELANEALDH1A1
SCHEMBL4047239 0.88 CTSK (0.34) CTSK

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