SCHEMBL6442984

SCHEMBL6442984

CSC(CNC(=O)c1cccc(CCl)c1)C(=O)NCC#N

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSL P07711 14/20 0.49
CTSB P07858 9/20 0.49
CTSS P25774 7/20 0.49
CTSK P43235 7/20 0.49
CTSV O60911 5/20 0.49
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL6446816 0.90 GAA (0.40) CTSLCTSBCTSSCTSKCTSV
SCHEMBL6443960 0.86 CTSB (0.44) CTSLCTSBCTSSCTSKCTSV
SCHEMBL6447899 0.84 CTSL (0.54) CTSLCTSBCTSSCTSKCTSV
SCHEMBL6444325 0.83 CTSL (0.48) CTSLCTSBCTSSCTSKCTSV
SCHEMBL6447506 0.83 CTSL (0.53) CTSLCTSBCTSSCTSKCTSV
SCHEMBL6824499 0.81 CTSL (0.62) CTSL
SCHEMBL6019797 0.81 CTSL (0.62) CTSLCTSBCTSSCTSKCTSV
SCHEMBL6822562 0.81 CTSK (0.47) CTSLCTSBCTSSCTSKCTSV
SCHEMBL6447466 0.78 CTSL (0.47) CTSLCTSBCTSSCTSKCTSV
SCHEMBL6020316 0.77 CTSL (0.78) CTSLCTSBCTSSCTSKCTSV

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-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
WO-2004056755-A2 COMPOUNDS FOR THE INHIBITION OF NON-PROTEOLYTIC ENZYMES JERENI AG (DE) 2004-07-08 WO disclosed