SCHEMBL2931767

SCHEMBL2931767

Cc1ccc(NC[C@H](NC(=O)c2cc(-c3ccccc3)ccn2)C(=O)NCCC(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSA P10619 2/20 0.46
PSMB5 P28074 3/20 0.42
NFKB1 P19838 2/20 0.42
NFKB2 Q00653 2/20 0.42
RELA Q04206 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CTSK P43235 8/20 0.42
PSMB8 P28062 1/20 0.42
CNR1 P21554 1/20 0.41
CTSS P25774 6/20 0.41
CTSL P07711 5/20 0.40
PSEN1 P49768 2/20 0.39
PSEN2 P49810 2/20 0.39
APH1B Q8WW43 2/20 0.39
NCSTN Q92542 2/20 0.39
APH1A Q96BI3 2/20 0.39
PSENEN Q9NZ42 2/20 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
SCHEMBL2927699 0.89 NPC1 (0.53) CTSAPSMB5NFKB1NFKB2RELA
SCHEMBL2931762 0.84 CTSA (0.45) CTSAPSMB5NFKB1NFKB2RELA
SCHEMBL2931763 0.79 CTSA (0.48) CTSAPSMB5NPC1RAB9ASMN1; SMN2
SCHEMBL2931864 0.77 KMT2A (0.57) PSMB5NPC1RAB9ASMN1; SMN2PSMB8
SCHEMBL2927824 0.76 NPC1 (0.48) PSMB5NFKB1NFKB2RELANPC1
SCHEMBL2935265 0.76 NPC1 (0.56) CTSAPSMB5NFKB1NFKB2RELA
SCHEMBL2927696 0.74 CTSA (0.44) CTSAPSMB5NFKB1NFKB2RELA
SCHEMBL2931810 0.74 NPC1 (0.45) PSMB5NFKB1NFKB2RELANPC1
SCHEMBL2929343 0.73 PSMB5 (0.55) CTSAPSMB5NFKB1NFKB2RELA
SCHEMBL2930834 0.72 SMN1; SMN2 (0.48) NPC1RAB9ASMN1; SMN2

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
EP-1846424-B1 PROTEASOME INHIBITORS AND METHODS OF USING THE SAME CEPHALON INC (US) 2010-01-27 EP claimed