SCHEMBL19580025

SCHEMBL19580025

O=C(O)CCOCCOCCOCCOCCOCCOCCOCCOCCSCc1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2-c2cc(C(=O)NCc3cccc(C(F)(F)F)c3)ccn2)c1

nearest known ligand 0.75

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC34A2 O95436 1/20 0.75
BRAF P15056 4/20 0.39
RAF1 P04049 2/20 0.39
ROCK2 O75116 3/20 0.37
ROCK1 Q13464 2/20 0.37
USP2 O75604 1/20 0.36
TLR9 Q9NR96 1/20 0.36
KDM4E B2RXH2 1/20 0.36
TEK Q02763 2/20 0.35
MAPK14 Q16539 1/20 0.35
LCK P06239 1/20 0.35
KDR P35968 1/20 0.35
SRPK2 P78362 1/20 0.35
SRPK1 Q96SB4 1/20 0.35
SRPK3 Q9UPE1 1/20 0.35
LMNA P02545 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL15432736 1.00 SLC34A2 (0.75) SLC34A2BRAFRAF1ROCK2ROCK1
SCHEMBL15432766 0.96 SLC34A2 (0.70) SLC34A2BRAFRAF1ROCK2ROCK1
SCHEMBL16355215 0.96 SLC34A2 (0.70) SLC34A2BRAFRAF1ROCK2ROCK1
SCHEMBL39796 0.94 SLC34A2 (0.67) SLC34A2BRAFRAF1ROCK2ROCK1
SCHEMBL45535 0.93 SLC34A2 (0.64) SLC34A2BRAFRAF1ROCK2ROCK1
SCHEMBL19579976 0.93 SLC34A2 (0.63) SLC34A2BRAFRAF1ROCK2ROCK1
SCHEMBL5999719 0.92 SLC34A2 (0.65) SLC34A2BRAFRAF1ROCK2ROCK1
SCHEMBL15432744 0.92 SLC34A2 (0.65) SLC34A2BRAFRAF1ROCK2ROCK1
SCHEMBL15432751 0.91 SLC34A2 (0.65) SLC34A2BRAFRAF1ROCK2ROCK1
SCHEMBL16355207 0.91 SLC34A2 (0.65) SLC34A2BRAFRAF1ROCK2ROCK1

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-2590656-B1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX INC (US) 2017-11-15 EP claimed