SCHEMBL6209174

SCHEMBL6209174

O=C(NC(CC1CCCCC1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)C(=O)c1ccccn1)c1csc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSL P07711 9/20 0.42
CTSS P25774 9/20 0.42
CTSV O60911 2/20 0.42
USP30 Q70CQ3 1/20 0.39
CTSK P43235 10/20 0.39
PREP P48147 5/20 0.35
FAP Q12884 5/20 0.35
HTRA1 Q92743 1/20 0.35
F2RL1 P55085 1/20 0.34
CTSB P07858 1/20 0.34

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
SCHEMBL4049892 0.89 CTSS (0.37) CTSLCTSSCTSVUSP30CTSK
SCHEMBL4041994 0.81 CTSS (0.39) CTSLCTSSCTSVUSP30CTSK
SCHEMBL8348192 0.81 CTSK (0.53) CTSLCTSSCTSVCTSKPREP
SCHEMBL4040427 0.80 CTSK (0.54) CTSLCTSSCTSVUSP30CTSK
SCHEMBL4038477 0.80 CTSS (0.40) CTSLCTSSCTSVUSP30CTSK
SCHEMBL4043711 0.79 CTSS (0.43) CTSLCTSSCTSVUSP30CTSK
SCHEMBL4039394 0.79 CTSL (0.42) CTSLCTSSCTSVCTSKCTSB
SCHEMBL4050085 0.79 CTSS (0.40) CTSLCTSSCTSVUSP30CTSK
SCHEMBL6210005 0.78 CTSS (0.42) CTSLCTSSCTSVCTSKPREP
SCHEMBL4048072 0.78 CTSV (0.39) CTSLCTSSCTSVCTSKHTRA1

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 4 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 claimed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 WO claimed
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