SCHEMBL18059164

SCHEMBL18059164

CN(CCOCCOCCOCCC(=O)OC(C)(C)C)Cc1cccc(Cc2ccc(N3CCCCC3)cc2-c2cc(C(=O)NCc3cccc(C(F)(F)F)c3)ccn2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC34A2 O95436 1/20 0.43
KDM4E B2RXH2 2/20 0.38
HRH4 Q9H3N8 1/20 0.36
BRAF P15056 6/20 0.36
ROCK2 O75116 4/20 0.35
ROCK1 Q13464 2/20 0.35
GPR52 Q9Y2T5 1/20 0.35
KDM1A O60341 1/20 0.35
HDAC1 Q13547 1/20 0.35
RAF1 P04049 2/20 0.34
GRK2 P25098 1/20 0.34
KIT P10721 1/20 0.34
FLT3 P36888 1/20 0.34
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
MLYCD O95822 1/20 0.33

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
SCHEMBL39781 0.91 SLC34A2 (0.53) SLC34A2KDM4EHRH4BRAFROCK2
SCHEMBL39966 0.86 SLC34A2 (0.48) SLC34A2KDM4EHRH4BRAFROCK2
SCHEMBL46804 0.84 SLC34A2 (0.61) SLC34A2KDM4EHRH4BRAFROCK2
SCHEMBL18059149 0.82 ROCK2 (0.44) SLC34A2KDM4EHRH4BRAFROCK2
SCHEMBL15432720 0.80 SLC34A2 (0.54) SLC34A2KDM4EBRAFROCK2ROCK1
SCHEMBL6001195 0.79 SLC34A2 (0.56) SLC34A2KDM4EHRH4BRAFROCK2
SCHEMBL16355204 0.79 SLC34A2 (0.53) SLC34A2KDM4EBRAFROCK2ROCK1
SCHEMBL18059162 0.79 SLC34A2 (0.49) SLC34A2KDM4EBRAFROCK2ROCK1
SCHEMBL46969 0.78 SLC34A2 (0.54) SLC34A2KDM4EBRAFROCK2ROCK1
SCHEMBL18059177 0.77 SLC34A2 (0.46) SLC34A2KDM4EHRH4BRAFROCK2

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
EP-2591354-B1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX INC (US) 2016-09-07 EP disclosed