SCHEMBL6818989

SCHEMBL6818989

CCN(C#N)C(=O)C(Cc1ccc(O)cc1)NC(=O)c1cccs1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSL P07711 4/20 0.54
CTSS P25774 5/20 0.47
CTSB P07858 3/20 0.47
CTSK P43235 3/20 0.47
HSPA5 P11021 5/20 0.44
HSPA2 P54652 2/20 0.44
HSPA1A P0DMV8 1/20 0.44
HSPA9 P38646 1/20 0.44
RAB9A P51151 2/20 0.41
HPGD P15428 2/20 0.41
LMNA P02545 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HDAC3 O15379 1/20 0.39

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
SCHEMBL6442766 0.91 CTSL (0.65) CTSLCTSSCTSBCTSKHSPA5
SCHEMBL6445846 0.87 CTSL (0.56) CTSLCTSSCTSBCTSKHSPA5
SCHEMBL6443541 0.86 CTSL (0.51) CTSLCTSSCTSBCTSKHSPA5
SCHEMBL6441980 0.84 CTSL (0.49) CTSLCTSSCTSBCTSKHSPA5
SCHEMBL6020789 0.84 CTSL (0.65) CTSLCTSSCTSBCTSKRAB9A
SCHEMBL6021491 0.82 CTSS (0.51) CTSLCTSSCTSBCTSKLMNA
SCHEMBL6443478 0.82 CTSB (0.51) CTSLCTSSCTSBCTSKHSPA5
SCHEMBL6019599 0.81 CTSL (0.52) CTSLCTSSCTSBCTSK
SCHEMBL6020457 0.81 CTSS (0.55) CTSLCTSSCTSBCTSKKMT2A
SCHEMBL6020511 0.81 ALDH1A1 (0.49) CTSLCTSSCTSBCTSKLMNA

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