SCHEMBL3424196

SCHEMBL3424196

CC(=O)Cc1nc(C2CCCCC2)co1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
RORC P51449 1/20 0.33
ABL1 P00519 1/20 0.33
PSMB8 P28062 1/20 0.32
PSMB9 P28065 1/20 0.32
PSMB5 P28074 1/20 0.32
CNR2 P34972 6/20 0.32
HPGD P15428 1/20 0.32
CTSK P43235 3/20 0.31
CTSS P25774 2/20 0.31
USP7 Q93009 1/20 0.31
HTR1A P08908 1/20 0.31
DRD2 P14416 1/20 0.31
HTR2A P28223 1/20 0.31
HTR7 P34969 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TLR8 Q9NR97 1/20 0.31

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
SCHEMBL3363702 0.85 ABL1 (0.34) KMOL3MBTL1RORCABL1PSMB8
SCHEMBL3363705 0.85 L3MBTL1 (0.34) KMOL3MBTL1ABL1PSMB8PSMB9
SCHEMBL3362563 0.84 PSMB8 (0.35) KMOL3MBTL1RORCABL1PSMB8
SCHEMBL3422558 0.84 ABL1 (0.37) KMOL3MBTL1RORCABL1CNR2
SCHEMBL3396241 0.83 CTSK (0.34) KMOL3MBTL1RORCABL1PSMB8
SCHEMBL3362566 0.80 PSMB8 (0.34) KMOABL1PSMB8PSMB9PSMB5
SCHEMBL2262247 0.70 L3MBTL1 (0.38) L3MBTL1PSMB5CTSKCTSSUSP7
SCHEMBL10263650 0.70 USP7 (0.34) CNR2USP7
SCHEMBL11195001 0.68 PPARA (0.44) L3MBTL1ALDH1A1
SCHEMBL14959499 0.67 USP7 (0.36) USP7

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
WO-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 WO disclosed