SCHEMBL6443540

SCHEMBL6443540

N#CCNC(=O)C(CNC(=O)c1ccccc1)c1ccc(O)cc1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSK P43235 10/20 0.60
CTSS P25774 10/20 0.60
CTSL P07711 12/20 0.58
CTSB P07858 7/20 0.53
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL5517758 0.92 CTSK (0.61) CTSKCTSSCTSLCTSBNPC1
SCHEMBL5529775 0.90 CTSK (0.60) CTSKCTSSCTSLCTSBNPC1
SCHEMBL6443745 0.89 CTSS (0.47) CTSKCTSSCTSLCTSBNPC1
SCHEMBL5528992 0.89 CTSK (0.58) CTSKCTSSCTSLCTSBNPC1
SCHEMBL6446405 0.87 CTSL (0.50) CTSKCTSSCTSLCTSBNPC1
SCHEMBL6449654 0.86 CTSK (0.56) CTSKCTSSCTSLCTSB
SCHEMBL5532550 0.86 CTSK (0.55) CTSKCTSSCTSLCTSBNPC1
SCHEMBL6448227 0.86 CTSS (0.47) CTSKCTSSCTSLCTSBSMN1; SMN2
SCHEMBL6822562 0.85 CTSK (0.47) CTSKCTSSCTSLCTSB
SCHEMBL6822952 0.85 CTSL (0.61) CTSKCTSSCTSLNPC1

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 5 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