SCHEMBL45213

SCHEMBL45213

CC(=O)N1CCCN(C(=O)c2cccc(C(=O)Nc3ccc(N4CCCCC4)cc3-c3cc(C(=O)NCc4cccc(C(F)(F)F)c4)ccn3)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC34A2 O95436 1/20 0.48
BRAF P15056 5/20 0.43
RAF1 P04049 2/20 0.42
ROCK2 O75116 5/20 0.42
ROCK1 Q13464 2/20 0.42
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.41
ENPP2 Q13822 1/20 0.41
ABL1 P00519 1/20 0.40
BCR P11274 1/20 0.40
ITK Q08881 1/20 0.40
USP2 O75604 1/20 0.39
TLR9 Q9NR96 1/20 0.39

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
SCHEMBL18471336 0.99 SLC34A2 (0.49) SLC34A2BRAFRAF1ROCK2ROCK1
SCHEMBL46746 0.92 SLC34A2 (0.47) SLC34A2BRAFRAF1ENPP2
SCHEMBL18482281 0.92 SLC34A2 (0.48) SLC34A2BRAFRAF1ROCK2ROCK1
SCHEMBL45212 0.92 GPR52 (0.45) SLC34A2BRAFRAF1ROCK2LMNA
SCHEMBL15420846 0.91 SLC34A2 (0.48) SLC34A2BRAFRAF1
SCHEMBL15432502 0.91 SLC34A2 (0.52) SLC34A2BRAFRAF1ROCK2ROCK1
SCHEMBL46687 0.90 SLC34A2 (0.48) SLC34A2BRAFRAF1ROCK2ROCK1
SCHEMBL46684 0.90 SLC34A2 (0.47) SLC34A2BRAFRAF1ROCK2ROCK1
SCHEMBL15444458 0.90 SLC34A2 (0.47) SLC34A2BRAFRAF1ROCK2ROCK1
SCHEMBL39860 0.89 SLC34A2 (0.53) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2591354-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT Ardelyx, Inc. (US) 2013-05-15 EP disclosed
EP-2590656-A2 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT Ardelyx, Inc. (US) 2013-05-15 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