SCHEMBL872518

SCHEMBL872518

CCC/C=C/c1cccnc1C=O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 1/20 0.40
TRIM33 Q9UPN9 1/20 0.40
TLR8 Q9NR97 1/20 0.39
KMT2A Q03164 2/20 0.35
FGF23 Q9GZV9 1/20 0.33
NFE2L2 Q16236 7/20 0.31
ALDH1A1 P00352 2/20 0.31
GAA P10253 1/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
HSP90AA1 P07900 1/20 0.31
IDO1 P14902 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ERN1 O75460 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
SCHEMBL19597465 0.78 TLR8 (0.42) TRIM24TRIM33TLR8KMT2AFGF23
SCHEMBL24061463 0.77 TLR8 (0.51) TLR8KMT2AALDH1A1GAANPC1
SCHEMBL24440652 0.76 NOS3 (0.39) TLR8KMT2AFGF23NPC1RAB9A
SCHEMBL23570007 0.75 TLR8 (0.42) TLR8KMT2AALDH1A1KDM4EMEN1
SCHEMBL346904 0.74 TRIM24 (0.59) TRIM24TRIM33KMT2AALDH1A1NPC1
SCHEMBL5943028 0.73 TRIM24 (0.39) TRIM24TRIM33KMT2AFGF23ALDH1A1
SCHEMBL8206128 0.72 TLR8 (0.51) TLR8KMT2ANFE2L2MEN1
SCHEMBL21447775 0.72 KMT2A (0.35) KMT2AFGF23MEN1NPSR1
SCHEMBL26479489 0.70 FGF23 (0.34) TRIM24TRIM33FGF23
SCHEMBL2084748 0.70 TRIM24 (0.48) TRIM24TRIM33KMT2ANFE2L2ALDH1A1

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
US-8143288-B2 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-27 US disclosed