SCHEMBL6446405

SCHEMBL6446405

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

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSL P07711 8/20 0.50
CTSS P25774 7/20 0.48
CTSK P43235 7/20 0.48
CTSB P07858 3/20 0.41
SFN P31947 1/20 0.39
NPC1 O15118 1/20 0.39
CYP1A2 P05177 1/20 0.39
GAA P10253 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C19 P33261 1/20 0.39
RAB9A P51151 1/20 0.39
GFER P55789 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL6444782 0.91 CTSK (0.53) CTSLCTSSCTSKCTSBNPC1
SCHEMBL6443632 0.89 SFN (0.42) CTSLCTSSCTSKSFNNPC1
SCHEMBL6822562 0.87 CTSK (0.47) CTSLCTSSCTSKCTSB
SCHEMBL6443540 0.87 CTSK (0.60) CTSLCTSSCTSKCTSBNPC1
SCHEMBL6446493 0.84 CTSL (0.53) CTSLCTSSCTSKCTSB
SCHEMBL6448227 0.83 CTSS (0.47) CTSLCTSSCTSKCTSBMAPT
SCHEMBL6442019 0.81 CTSS (0.42) CTSLCTSSCTSKCTSBNPC1
SCHEMBL5529775 0.80 CTSK (0.60) CTSLCTSSCTSKCTSBNPC1
SCHEMBL5517758 0.79 CTSK (0.61) CTSLCTSSCTSKCTSBNPC1
SCHEMBL6443960 0.79 CTSB (0.44) CTSLCTSSCTSKCTSB

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