SCHEMBL4042699

SCHEMBL4042699

CCCC(NC(=O)Oc1cc2sccc2s1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)C(=O)c1cccnc1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.32
PREP P48147 2/20 0.30
FAP Q12884 2/20 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
SCHEMBL4047331 0.93 CTSK (0.40) CTSKPREPFAP
SCHEMBL4044672 0.92 CTSV (0.33) CTSK
SCHEMBL4042570 0.91 CTSK (0.34) CTSKPREPFAP
SCHEMBL4043056 0.90 HSD17B10 (0.36) PREPFAP
SCHEMBL4052028 0.90 CTSK (0.32) CTSK
SCHEMBL4050322 0.89 CTSK (0.34) CTSKPREPFAP
SCHEMBL4044199 0.89 SMYD3 (0.34)
SCHEMBL4044612 0.88 PREP (0.33) CTSKPREPFAP
SCHEMBL4044808 0.86 CTSK (0.36) CTSKPREPFAP
SCHEMBL4045553 0.86 CTSK (0.34) CTSKPREPFAP

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