SCHEMBL6448205

SCHEMBL6448205

N#CCNC(=O)C(CNC(=O)c1ccccc1)c1csc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSL P07711 12/20 0.47
CTSK P43235 10/20 0.47
CTSS P25774 10/20 0.47
CTSB P07858 7/20 0.47
ALOX5 P09917 1/20 0.41

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
SCHEMBL6447552 0.91 CTSK (0.42) CTSLCTSKCTSSCTSB
SCHEMBL6021296 0.90 CTSL (0.38) CTSLCTSKCTSSCTSBALOX5
SCHEMBL6446486 0.90 CTSK (0.41) CTSLCTSKCTSSCTSB
SCHEMBL6446814 0.88 CTSL (0.41) CTSLCTSKCTSSCTSB
SCHEMBL6021888 0.88 CTSK (0.44) CTSLCTSKCTSSCTSBALOX5
SCHEMBL6445446 0.88 CTSL (0.55) CTSLCTSKCTSS
SCHEMBL6443383 0.87 CTSS (0.51) CTSLCTSKCTSSCTSBALOX5
SCHEMBL6821937 0.86 CTSK (0.43) CTSLCTSKCTSSCTSBALOX5
SCHEMBL6444143 0.85 CTSK (0.45) CTSLCTSKCTSSCTSBALOX5
SCHEMBL6446744 0.85 CTSL (0.45) CTSLCTSKCTSSCTSBALOX5

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