SCHEMBL6001620

SCHEMBL6001620

COCCN(C)C(=O)c1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2-c2cc(C(=O)NCc3cccc(C(F)(F)F)c3)ccn2)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC34A2 O95436 1/20 0.53
ROCK2 O75116 4/20 0.44
BRAF P15056 5/20 0.41
RAF1 P04049 2/20 0.41
ROCK1 Q13464 2/20 0.41
KDM4E B2RXH2 2/20 0.40
GPR52 Q9Y2T5 1/20 0.39
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
TEK Q02763 1/20 0.38
HRH4 Q9H3N8 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
SCHEMBL15421020 0.96 SLC34A2 (0.51) SLC34A2ROCK2BRAFRAF1ROCK1
SCHEMBL46963 0.94 SLC34A2 (0.54) SLC34A2ROCK2BRAFRAF1ROCK1
SCHEMBL15432499 0.93 SLC34A2 (0.51) SLC34A2ROCK2BRAFRAF1ROCK1
SCHEMBL46754 0.93 SLC34A2 (0.51) SLC34A2ROCK2BRAFRAF1ROCK1
SCHEMBL47011 0.93 SLC34A2 (0.47) SLC34A2ROCK2BRAFRAF1ROCK1
SCHEMBL47036 0.92 SLC34A2 (0.63) SLC34A2ROCK2BRAFRAF1ROCK1
SCHEMBL46659 0.92 SLC34A2 (0.52) SLC34A2ROCK2BRAFRAF1ROCK1
SCHEMBL15432500 0.91 SLC34A2 (0.49) SLC34A2ROCK2BRAFRAF1ROCK1
SCHEMBL46766 0.91 SLC34A2 (0.49) SLC34A2ROCK2BRAFRAF1KDM4E
SCHEMBL46856 0.90 SLC34A2 (0.47) SLC34A2ROCK2BRAFRAF1ROCK1

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
WO-2012054110-A2 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2012-04-26 WO disclosed