SCHEMBL47715

SCHEMBL47715

CNC(=O)c1cccc(SCc2cccc(C(=O)Nc3ccc(N4CCCCC4)cc3-c3cc(C(=O)NCc4cccc(C(F)(F)F)c4)ccn3)c2)c1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC34A2 O95436 1/20 0.52
BRAF P15056 5/20 0.41
RAF1 P04049 2/20 0.41
MET P08581 1/20 0.41
TEK Q02763 1/20 0.38
ROCK2 O75116 3/20 0.38
ROCK1 Q13464 2/20 0.38
KDM4E B2RXH2 2/20 0.38
HRH4 Q9H3N8 1/20 0.38
SCN9A Q15858 1/20 0.37
USP2 O75604 1/20 0.37
TLR9 Q9NR96 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
SCHEMBL46796 0.94 SLC34A2 (0.52) SLC34A2BRAFRAF1ROCK2ROCK1
SCHEMBL39793 0.94 SLC34A2 (0.52) SLC34A2BRAFRAF1ROCK2ROCK1
SCHEMBL46797 0.94 SLC34A2 (0.52) SLC34A2BRAFRAF1TEKROCK2
SCHEMBL46782 0.93 SLC34A2 (0.51) SLC34A2BRAFRAF1ROCK2ROCK1
SCHEMBL19596279 0.92 SLC34A2 (0.49) SLC34A2BRAFRAF1TEKROCK2
SCHEMBL19579944 0.92 SLC34A2 (0.52) SLC34A2BRAFRAF1ROCK2ROCK1
SCHEMBL19580033 0.91 SLC34A2 (0.51) SLC34A2BRAFRAF1ROCK2ROCK1
SCHEMBL19579980 0.90 SLC34A2 (0.52) SLC34A2BRAFRAF1ROCK2ROCK1
SCHEMBL6002472 0.90 SLC34A2 (0.55) SLC34A2BRAFRAF1TEKROCK2
SCHEMBL46788 0.89 SLC34A2 (0.52) SLC34A2BRAFRAF1TEKROCK2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2590656-B1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX INC (US) 2017-11-15 EP disclosed
EP-2591354-B1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX INC (US) 2016-09-07 EP disclosed
WO-2012054110-A2 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2012-04-26 WO disclosed
WO-2012006475-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2012-01-12 WO disclosed