SCHEMBL290568

SCHEMBL290568

CS(=O)(=O)c1cccc(-c2ccc(CC(C#N)NC(=O)C3CCOCC3)cc2)c1

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSC P53634 19/20 0.70
CTSK P43235 8/20 0.68
CTSL P07711 1/20 0.49
CTSB P07858 1/20 0.49
CTSS P25774 1/20 0.49

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
SCHEMBL2889083 0.83 CTSC (1.00) CTSCCTSKCTSLCTSBCTSS
SCHEMBL2889089 0.83 CTSC (1.00) CTSCCTSKCTSLCTSBCTSS
SCHEMBL300214 0.81 CTSC (0.58) CTSCCTSK
SCHEMBL16071105 0.81 CTSC (1.00) CTSCCTSK
SCHEMBL290172 0.81 CTSC (0.64) CTSCCTSK
SCHEMBL2890791 0.80 CTSC (0.77) CTSCCTSKCTSLCTSBCTSS
SCHEMBL289950 0.80 CTSC (0.67) CTSCCTSK
SCHEMBL289987 0.80 CTSC (0.61) CTSCCTSK
SCHEMBL14821976 0.80 CTSC (1.00) CTSCCTSK
SCHEMBL290339 0.79 CTSC (0.62) CTSCCTSK

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2427445-A1 SUBSTITUTED 1-CYANOETHYLHETEROCYCLYLCARBOXAMIDE COMPOUNDS 750 AstraZeneca AB (SE) 2012-03-14 EP claimed
EP-2427445-A1 SUBSTITUTED 1-CYANOETHYLHETEROCYCLYLCARBOXAMIDE COMPOUNDS 750 AstraZeneca AB (SE) 2012-03-14 EP disclosed