SCHEMBL4048824

SCHEMBL4048824

CCCC(NC(=O)Oc1cc2ccccc2o1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)Cc1ccccn1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 17/20 0.37
CTSL P07711 15/20 0.37
CTSS P25774 11/20 0.37
CTSB P07858 5/20 0.37
CTSV O60911 2/20 0.37
PREP P48147 1/20 0.34
FAP Q12884 1/20 0.34
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL4051812 0.93 CTSK (0.43) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4048091 0.93 HPGD (0.38) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4044711 0.90 CTSK (0.47) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4045167 0.90 ALDH1A1 (0.38) PREPFAPNPC1RAB9A
SCHEMBL4046863 0.88 SMYD3 (0.35) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4049192 0.88 CTSK (0.37) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4045026 0.88 CTSK (0.36) CTSKCTSLCTSSCTSBPREP
SCHEMBL4044689 0.88 PREP (0.35) CTSKCTSLCTSSPREPFAP
SCHEMBL4045022 0.87 CTSK (0.35) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4040800 0.86 PREP (0.36) CTSKCTSLCTSSCTSBCTSV

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