SCHEMBL6446480

SCHEMBL6446480

N#CCCNC(=O)C(CNC(=O)c1cccc(CCl)c1)c1csc2ccccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GUSB P08236 1/20 0.36
GPX4 P36969 1/20 0.36
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CMA1 P23946 1/20 0.34
F9 P00740 1/20 0.34
PMM2 O15305 1/20 0.33
MPI P34949 1/20 0.33
PHOSPHO1 Q8TCT1 1/20 0.33
CTSL P07711 3/20 0.33
CTSS P25774 3/20 0.33
CTSK P43235 3/20 0.33
CTSB P07858 3/20 0.33
CTSV O60911 2/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
ALOX5 P09917 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32

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
SCHEMBL6446814 0.91 CTSL (0.41) CTSLCTSSCTSKCTSBCTSV
SCHEMBL6443534 0.90 HDAC6 (0.37) GUSBGPX4CMA1F9CTSL
SCHEMBL6021296 0.88 CTSL (0.38) GPX4CMA1F9CTSLCTSS
SCHEMBL6822574 0.85 CTSL (0.44) CTSLTP53
SCHEMBL6446599 0.82 GUSB (0.43) GUSBCTSLCTSSCTSKCTSB
SCHEMBL6447552 0.81 CTSK (0.42) CTSLCTSSCTSKCTSBHDAC6
SCHEMBL6021402 0.80 CTSL (0.50) CTSLCTSSCTSKCTSBCTSV
SCHEMBL6444192 0.80 KDM4E (0.40) KMT2ACMA1CTSLCTSSCTSK
SCHEMBL6443721 0.80 CMA1 (0.38) CMA1F9TP53HDAC6
SCHEMBL6446396 0.79 HPGD (0.37) GAAKMT2ACMA1CTSLCTSS

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