SCHEMBL873858

SCHEMBL873858

CCc1ccccc1C(=O)N1CCC[C@H]1C(=O)Nc1ccc(/C=C/c2ccc(NC(=O)[C@@H]3CCCN3OCc3ccccn3)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
PABPC1 P11940 1/20 0.42
MAPK1 P28482 2/20 0.40
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
ALDH1A1 P00352 2/20 0.38
HTT P42858 1/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
ROCK2 O75116 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TSHR P16473 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
FKBP1A P62942 1/20 0.37
TP53 P04637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL845935 0.85 PABPC1 (0.44) GAAKDM4ELMNAPABPC1MAPK1
SCHEMBL845131 0.85 PABPC1 (0.49) GAAKDM4ELMNAPABPC1MAPK1
SCHEMBL845007 0.85 PABPC1 (0.49) GAAKDM4ELMNAPABPC1MAPK1
SCHEMBL10119511 0.81 GAA (0.44) GAAKDM4ELMNAPABPC1MAPK1
SCHEMBL845431 0.81 TRPV1 (0.43) GAAKDM4ELMNAPABPC1MAPK1
SCHEMBL13272394 0.81 MEN1 (0.47) GAAKDM4ELMNAPABPC1MAPK1
SCHEMBL10119504 0.81 GAA (0.42) GAAKDM4ELMNAPABPC1MAPK1
SCHEMBL845337 0.79 GAA (0.45) GAAKDM4ELMNAPABPC1MAPK1
SCHEMBL871645 0.79 PABPC1 (0.43) GAAKDM4ELMNAPABPC1MAPK1
SCHEMBL845301 0.78 PABPC1 (0.51) GAAKDM4ELMNAPABPC1MAPK1

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