SCHEMBL6279950

SCHEMBL6279950

CC(CC(C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1ccccn1)c1cccc(-c2cccnc2)c1)S(C)(=O)=O

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 19/20 0.36
CTSL P07711 17/20 0.36
CTSS P25774 14/20 0.36
CTSB P07858 4/20 0.36
CTSV O60911 2/20 0.36

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
SCHEMBL4040439 0.94 CTSK (0.43) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4044747 0.88 CTSK (0.45) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4042265 0.86 CTSK (0.49) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4041367 0.84 CTSK (0.41) CTSKCTSLCTSSCTSB
SCHEMBL4042013 0.84 CTSK (0.46) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4043982 0.83 CTSK (0.41) CTSKCTSLCTSSCTSB
SCHEMBL4040924 0.83 CTSK (0.45) CTSKCTSLCTSSCTSB
SCHEMBL6279954 0.82 CTSK (0.36) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4042098 0.81 CTSK (0.44) CTSKCTSLCTSSCTSB
SCHEMBL4044324 0.81 CTSK (0.43) CTSKCTSLCTSSCTSB

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-1546150-A1 BIOLOGICALLY ACTIVE COMPOUNDS Amura Therapeutics Limited (GB) 2005-06-29 EP disclosed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 WO disclosed