SCHEMBL4045509

SCHEMBL4045509

CCCC(NC(=O)Oc1cc2sccc2s1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)Cc1ccccn1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PREP P48147 2/20 0.33
FAP Q12884 2/20 0.33
CTSK P43235 2/20 0.31
ELANE P08246 1/20 0.31
KMT2A Q03164 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
SCHEMBL4051023 0.93 CTSK (0.39) CTSKKMT2A
SCHEMBL4043092 0.92 CTSL (0.32) CTSK
SCHEMBL4045022 0.91 CTSK (0.35) PREPFAPCTSKELANEKMT2A
SCHEMBL4041176 0.90 CTSL (0.36) PREPFAPCTSK
SCHEMBL4043912 0.90 CTSK (0.32) CTSK
SCHEMBL4038257 0.89 PREP (0.34) PREPFAPCTSKELANEKMT2A
SCHEMBL4044612 0.88 PREP (0.33) PREPFAPCTSK
SCHEMBL4044199 0.88 SMYD3 (0.34)
SCHEMBL4044090 0.86 CTSK (0.34) PREPFAPCTSKELANEKMT2A
SCHEMBL4042306 0.86 MMP8 (0.37) PREPFAPCTSKELANEKMT2A

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