SCHEMBL6445458

SCHEMBL6445458

N#CCCNC(=O)C(Cc1ccccc1)NC(=O)NCCc1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.67
PSMB1 P20618 1/20 0.56
PSMB5 P28074 1/20 0.56
PSMB2 P49721 1/20 0.56
CTSS P25774 7/20 0.56
CTSK P43235 4/20 0.56
CTSL P07711 5/20 0.54
CTSB P07858 4/20 0.54
ANPEP P15144 2/20 0.53
F10 P00742 1/20 0.50

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
SCHEMBL6442637 0.94 KMT2A (0.61) KMT2APSMB1PSMB5PSMB2CTSS
SCHEMBL6446628 0.90 KMT2A (0.70) KMT2APSMB1PSMB5PSMB2CTSS
SCHEMBL6446666 0.89 CTSS (0.57) KMT2APSMB1PSMB5PSMB2CTSS
SCHEMBL6021138 0.89 ANPEP (0.66) KMT2APSMB5CTSSCTSKCTSL
SCHEMBL6444345 0.88 ANPEP (0.54) KMT2APSMB1PSMB5PSMB2CTSS
SCHEMBL6445490 0.85 ANPEP (0.51) KMT2APSMB1PSMB5PSMB2CTSS
SCHEMBL6822714 0.85 CTSL (0.68) KMT2APSMB1PSMB5PSMB2CTSS
SCHEMBL6020504 0.84 ANPEP (0.59) PSMB5CTSSCTSKCTSLCTSB
SCHEMBL6446824 0.84 CTSL (0.56) KMT2APSMB1PSMB5PSMB2CTSS
SCHEMBL6020222 0.84 CTSS (0.80) CTSSCTSKCTSLCTSB

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
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