SCHEMBL871476

SCHEMBL871476

O=C(Nc1ccc(/C=C/c2ccc(NC(=O)C3CC(=O)N(Cc4cccs4)C3)cc2)cc1)C1CC(=O)N(CC2=CCCS2)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP3 Q9NSD7 6/20 0.53
L3MBTL1 Q9Y468 2/20 0.52
ALDH1A1 P00352 7/20 0.45
MAPT P10636 3/20 0.44
LMNA P02545 2/20 0.44
NPC1 O15118 2/20 0.44
GLA P06280 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HTT P42858 2/20 0.42
PKM P14618 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 2/20 0.40
HPGD P15428 2/20 0.40
USP2 O75604 1/20 0.38
POLB P06746 1/20 0.38
MAPK1 P28482 1/20 0.38
ATM Q13315 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL844852 0.90 L3MBTL1 (0.63) RXFP3L3MBTL1ALDH1A1MAPTLMNA
SCHEMBL844889 0.81 RXFP3 (0.51) RXFP3L3MBTL1ALDH1A1MAPTLMNA
SCHEMBL845527 0.77 L3MBTL1 (0.51) RXFP3L3MBTL1ALDH1A1MAPTLMNA
SCHEMBL13485761 0.76 L3MBTL1 (0.74) RXFP3L3MBTL1ALDH1A1MAPTLMNA
SCHEMBL845806 0.75 L3MBTL1 (0.46) RXFP3L3MBTL1ALDH1A1MAPTLMNA
SCHEMBL844886 0.71 ALDH1A1 (0.62) RXFP3L3MBTL1ALDH1A1MAPTLMNA
SCHEMBL13272274 0.70 L3MBTL1 (0.43) RXFP3L3MBTL1ALDH1A1MAPTLMNA
SCHEMBL2449353 0.70 L3MBTL1 (1.00) RXFP3L3MBTL1ALDH1A1MAPTSMN1; SMN2
SCHEMBL27001821 0.69 RXFP3 (1.00) RXFP3MAPT
SCHEMBL18887500 0.69 RXFP3 (0.51) RXFP3L3MBTL1ALDH1A1MAPTLMNA

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