SCHEMBL6443383

SCHEMBL6443383

COC(=O)NCC(C(=O)NCC#N)c1csc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSS P25774 12/20 0.51
CTSK P43235 10/20 0.51
CTSL P07711 9/20 0.51
ALOX5 P09917 1/20 0.41
CTSB P07858 4/20 0.41
CTSC P53634 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
SCHEMBL6446410 0.90 CTSS (0.48) CTSSCTSKCTSLALOX5CTSB
SCHEMBL6448203 0.90 CTSS (0.48) CTSSCTSKCTSLALOX5CTSB
SCHEMBL6442386 0.90 CTSK (0.42) CTSSCTSKCTSLALOX5CTSB
SCHEMBL6444043 0.89 CTSS (0.62) CTSSCTSKCTSLCTSB
SCHEMBL6445530 0.89 CTSS (0.47) CTSSCTSKCTSLALOX5CTSB
SCHEMBL6446301 0.87 CTSS (0.46) CTSSCTSKCTSLALOX5CTSB
SCHEMBL6448205 0.87 CTSL (0.47) CTSSCTSKCTSLALOX5CTSB
SCHEMBL6446381 0.85 SMN1; SMN2 (0.49) CTSSCTSKCTSLCTSB
SCHEMBL6445436 0.85 CTSS (0.44) CTSSCTSKCTSLALOX5CTSB
SCHEMBL6446744 0.85 CTSL (0.45) CTSSCTSKCTSLALOX5CTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1575903-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES Jerini AG (DE) 2005-09-21 EP claimed
WO-2004065353-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES JERINI AG (DE) 2004-08-05 WO claimed
WO-2004056755-A2 COMPOUNDS FOR THE INHIBITION OF NON-PROTEOLYTIC ENZYMES JERENI AG (DE) 2004-07-08 WO claimed
EP-1575903-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES Jerini AG (DE) 2005-09-21 EP disclosed
WO-2004065353-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES JERINI AG (DE) 2004-08-05 WO disclosed
WO-2004056755-A2 COMPOUNDS FOR THE INHIBITION OF NON-PROTEOLYTIC ENZYMES JERENI AG (DE) 2004-07-08 WO disclosed