SCHEMBL4044872

SCHEMBL4044872

CCCC(NC(=O)Oc1ccc2ccccc2n1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1ccccn1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSK P43235 18/20 0.44
CTSL P07711 18/20 0.44
CTSS P25774 15/20 0.44
CTSB P07858 4/20 0.44
CTSV O60911 2/20 0.38
PREP P48147 1/20 0.37
FAP Q12884 1/20 0.37

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
SCHEMBL4043689 0.92 CTSK (0.51) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4045549 0.92 CTSL (0.39) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4044622 0.90 CTSK (0.38) CTSKCTSLCTSSCTSBPREP
SCHEMBL4052232 0.90 CTSK (0.38) CTSKCTSLCTSSCTSBPREP
SCHEMBL4044230 0.89 CTSL (0.40) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4048207 0.88 HSD17B10 (0.36) CTSKCTSLCTSSCTSBPREP
SCHEMBL4049444 0.86 PREP (0.33) CTSKCTSLCTSSCTSBPREP
SCHEMBL4046799 0.86 ALDH1A1 (0.39) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4043984 0.86 CTSK (0.39) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4044582 0.86 CTSK (0.40) CTSKCTSLCTSSCTSBPREP

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