SCHEMBL16355209

SCHEMBL16355209

O=C(CCOCCSCc1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2-c2cc(C(=O)NCc3cccc(C(F)(F)F)c3)ccn2)c1)NCCOCCO

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC34A2 O95436 1/20 0.62
BRAF P15056 6/20 0.37
RAF1 P04049 4/20 0.37
GPR52 Q9Y2T5 4/20 0.35
ROCK2 O75116 3/20 0.35
ROCK1 Q13464 2/20 0.35
TRPV1 Q8NER1 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HRH4 Q9H3N8 1/20 0.34
TEK Q02763 1/20 0.34

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
SCHEMBL15432752 0.99 SLC34A2 (0.63) SLC34A2BRAFRAF1GPR52ROCK2
SCHEMBL46437 0.96 SLC34A2 (0.60) SLC34A2BRAFRAF1GPR52ROCK2
SCHEMBL15432751 0.95 SLC34A2 (0.65) SLC34A2BRAFRAF1GPR52ROCK2
SCHEMBL15432766 0.95 SLC34A2 (0.70) SLC34A2BRAFRAF1GPR52ROCK2
SCHEMBL16355215 0.95 SLC34A2 (0.70) SLC34A2BRAFRAF1GPR52ROCK2
SCHEMBL16355207 0.95 SLC34A2 (0.65) SLC34A2BRAFRAF1GPR52ROCK2
SCHEMBL19580025 0.91 SLC34A2 (0.75) SLC34A2BRAFRAF1ROCK2ROCK1
SCHEMBL15432736 0.91 SLC34A2 (0.75) SLC34A2BRAFRAF1ROCK2ROCK1
SCHEMBL16355206 0.91 SLC34A2 (0.59) SLC34A2BRAFRAF1ROCK2ROCK1
SCHEMBL16355208 0.91 SLC34A2 (0.59) SLC34A2BRAFRAF1

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
US-8916569-B2 Compounds and methods for inhibiting phosphate transport ARDELYX, INC. (US) 2014-12-23 US disclosed