SCHEMBL4046503

SCHEMBL4046503

CCCC(NC(=O)Oc1ccsc1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1ccccn1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSL P07711 18/20 0.37
CTSK P43235 18/20 0.37
CTSS P25774 17/20 0.37
PREP P48147 1/20 0.36
FAP Q12884 1/20 0.36
CTSB P07858 2/20 0.36
CTSV O60911 1/20 0.36
ELOVL6 Q9H5J4 1/20 0.35

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
SCHEMBL4051200 0.93 CTSK (0.44) CTSLCTSKCTSSCTSBCTSV
SCHEMBL4046866 0.92 CTSK (0.43) CTSLCTSKCTSSCTSBCTSV
SCHEMBL4044691 0.90 PREP (0.35) CTSKPREPFAP
SCHEMBL4047831 0.90 PREP (0.35) CTSKPREPFAP
SCHEMBL4042234 0.89 ELOVL6 (0.39) CTSLCTSKCTSSCTSBCTSV
SCHEMBL4042447 0.89 CTSL (0.43) CTSLCTSKCTSSCTSBCTSV
SCHEMBL4047847 0.88 CTSK (0.38) CTSLCTSKCTSSCTSBCTSV
SCHEMBL4044230 0.88 CTSL (0.40) CTSLCTSKCTSSCTSBCTSV
SCHEMBL4046656 0.87 CTSK (0.40) CTSLCTSKCTSSCTSBCTSV
SCHEMBL4045505 0.86 KCNQ1 (0.38) CTSKPREPFAPELOVL6

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