SCHEMBL872415

SCHEMBL872415

CCC/C=C/c1cccnc1C(=O)N1CCC[C@H]1C(=O)Nc1ccc(/C=C/c2ccc(NC(=O)[C@@H]3CCCN3)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 1/20 0.38
GAA P10253 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
SCN3A Q9NY46 3/20 0.36
SCN9A Q15858 2/20 0.36
JAK2 O60674 2/20 0.36
PDGFRB P09619 2/20 0.36
FLT3 P36888 2/20 0.36
IKBKB O14920 1/20 0.36
KIT P10721 1/20 0.36
PDGFRA P16234 1/20 0.36
FLT1 P17948 1/20 0.36
RPS6KB1 P23443 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
FLT4 P35916 1/20 0.36
KDR P35968 1/20 0.36
JAK3 P52333 1/20 0.36
MAP3K9 P80192 1/20 0.36

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
SCHEMBL845433 0.93 PABPC1 (0.42) PABPC1GAAKDM4ELMNAALDH1A1
SCHEMBL871971 0.86 PDE5A (0.42) PABPC1GAAKDM4ELMNASCN3A
SCHEMBL10119341 0.84 LMNA (0.38) PABPC1GAAKDM4ELMNAALDH1A1
SCHEMBL871771 0.83 PABPC1 (0.44) PABPC1GAAKDM4ELMNASCN3A
SCHEMBL10119551 0.82 DHODH (0.40) GAASCN3ASCN9AJAK2PDGFRB
SCHEMBL10119636 0.81 CYP2C9 (0.38) PABPC1SCN3ASCN9AJAK2PDGFRB
SCHEMBL10119347 0.81 ALDH1A1 (0.43) GAASCN3ASCN9AJAK2PDGFRB
SCHEMBL10119513 0.80 JAK2 (0.41) SCN3ASCN9AJAK2PDGFRBFLT3
SCHEMBL10119326 0.79 EP300 (0.41) LMNASCN3ASCN9AJAK2PDGFRB
SCHEMBL10119294 0.78 ITGB3 (0.41) SCN3ASCN9AJAK2PDGFRBFLT3

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