SCHEMBL6002472

SCHEMBL6002472

CSCc1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2-c2cc(C(=O)NCc3cccc(C(F)(F)F)c3)ccn2)c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC34A2 O95436 1/20 0.55
BRAF P15056 5/20 0.44
RAF1 P04049 2/20 0.44
ROCK2 O75116 3/20 0.41
ROCK1 Q13464 2/20 0.41
KDM4E B2RXH2 2/20 0.41
HRH4 Q9H3N8 1/20 0.41
KDR P35968 1/20 0.40
SRPK2 P78362 1/20 0.40
SRPK1 Q96SB4 1/20 0.40
SRPK3 Q9UPE1 1/20 0.40
TEK Q02763 1/20 0.40
CHRM3 P20309 1/20 0.40
MLYCD O95822 1/20 0.40

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
SCHEMBL40075 0.92 SLC34A2 (0.52) SLC34A2BRAFRAF1ROCK2ROCK1
SCHEMBL39722 0.92 SLC34A2 (0.57) SLC34A2BRAFRAF1ROCK2ROCK1
SCHEMBL6002461 0.91 SLC34A2 (0.52) SLC34A2BRAFRAF1ROCK2ROCK1
SCHEMBL19580010 0.91 SLC34A2 (0.54) SLC34A2BRAFRAF1ROCK2ROCK1
SCHEMBL19579940 0.91 SLC34A2 (0.58) SLC34A2BRAFRAF1ROCK2ROCK1
SCHEMBL39714 0.91 SLC34A2 (0.51) SLC34A2BRAFRAF1ROCK2ROCK1
SCHEMBL46515 0.91 SLC34A2 (0.51) SLC34A2BRAFRAF1ROCK2ROCK1
SCHEMBL39843 0.91 SLC34A2 (0.51) SLC34A2BRAFRAF1ROCK2ROCK1
SCHEMBL16355250 0.91 SLC34A2 (0.51) SLC34A2BRAFRAF1ROCK2ROCK1
SCHEMBL15432502 0.91 SLC34A2 (0.52) 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
WO-2012054110-A2 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2012-04-26 WO disclosed