SCHEMBL871771

SCHEMBL871771

CCOc1ncccc1C(=O)N1CCC[C@H]1C(=O)Nc1ccc(/C=C/c2ccc(NC(=O)[C@@H]3CCCN3)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 1/20 0.44
KDM4E B2RXH2 3/20 0.42
GAA P10253 1/20 0.42
LMNA P02545 1/20 0.42
RXFP1 Q9HBX9 2/20 0.42
ALDH1A1 P00352 3/20 0.41
HCRTR2 O43614 3/20 0.41
NPC1 O15118 2/20 0.40
TSHR P16473 1/20 0.40
SCN9A Q15858 1/20 0.39
SCN3A Q9NY46 1/20 0.39
SCN5A Q14524 1/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 1/20 0.39
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HCRTR1 O43613 2/20 0.38
POLB P06746 2/20 0.38
PPARG P37231 1/20 0.38
NCOR2 Q9Y618 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
SCHEMBL845301 0.92 PABPC1 (0.51) PABPC1KDM4EGAALMNARXFP1
SCHEMBL872930 0.88 GAA (0.52) PABPC1KDM4EGAALMNAHCRTR2
SCHEMBL10119551 0.88 DHODH (0.40) GAAALDH1A1SCN9ASCN3ASCN5A
SCHEMBL872415 0.83 PABPC1 (0.38) PABPC1KDM4EGAALMNAALDH1A1
SCHEMBL871971 0.83 PDE5A (0.42) PABPC1KDM4EGAALMNAHCRTR2
SCHEMBL874324 0.83 MAPK1 (0.42) PABPC1GAALMNAALDH1A1MAPK1
SCHEMBL874313 0.82 MAPK1 (0.50) GAALMNAALDH1A1TSHRKMT2A
SCHEMBL13272508 0.82 GAA (0.42) PABPC1KDM4EGAALMNARXFP1
SCHEMBL872886 0.81 KDM4E (0.52) PABPC1KDM4EGAALMNAALDH1A1
SCHEMBL10119636 0.81 CYP2C9 (0.38) PABPC1ALDH1A1SCN9ASCN3AMAPK1

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