SCHEMBL6445530

SCHEMBL6445530

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

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSS P25774 11/20 0.47
CTSL P07711 10/20 0.47
CTSK P43235 9/20 0.47
CTSB P07858 5/20 0.44
ALOX5 P09917 1/20 0.40
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL6446288 0.91 CTSK (0.39) CTSSCTSLCTSKCTSBALOX5
SCHEMBL6448203 0.90 CTSS (0.48) CTSSCTSLCTSKCTSBALOX5
SCHEMBL6446410 0.90 CTSS (0.48) CTSSCTSLCTSKCTSBALOX5
SCHEMBL6443383 0.89 CTSS (0.51) CTSSCTSLCTSKCTSBALOX5
SCHEMBL6445436 0.87 CTSS (0.44) CTSSCTSLCTSKCTSBALOX5
SCHEMBL6446301 0.86 CTSS (0.46) CTSSCTSLCTSKCTSBALOX5
SCHEMBL6444043 0.85 CTSS (0.62) CTSSCTSLCTSKCTSB
SCHEMBL6446381 0.85 SMN1; SMN2 (0.49) CTSSCTSLCTSKCTSBLMNA
SCHEMBL6442470 0.83 CTSK (0.45) CTSSCTSLCTSKCTSB
SCHEMBL6448205 0.82 CTSL (0.47) CTSSCTSLCTSKCTSBALOX5

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