SCHEMBL46515

SCHEMBL46515

O=C(NCc1cccc(C(F)(F)F)c1)c1ccnc(-c2cc(N3CCCCC3)ccc2NC(=O)c2cccc(CS)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC34A2 O95436 1/20 0.51
BRAF P15056 4/20 0.44
RAF1 P04049 2/20 0.44
KDM4E B2RXH2 1/20 0.42
ROCK2 O75116 2/20 0.42
KDR P35968 1/20 0.42
SRPK2 P78362 1/20 0.42
SRPK1 Q96SB4 1/20 0.42
SRPK3 Q9UPE1 1/20 0.42
MLYCD O95822 1/20 0.41
CHRM3 P20309 1/20 0.41
ROCK1 Q13464 1/20 0.41
USP2 O75604 1/20 0.41
TLR9 Q9NR96 1/20 0.41
MEN1 O00255 1/20 0.41
PLA2G1B P04054 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
GAA P10253 1/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL39714 0.93 SLC34A2 (0.51) SLC34A2BRAFRAF1KDM4EROCK2
SCHEMBL40075 0.93 SLC34A2 (0.52) SLC34A2BRAFRAF1KDM4EROCK2
SCHEMBL39843 0.93 SLC34A2 (0.51) SLC34A2BRAFRAF1KDM4EROCK2
SCHEMBL19596297 0.92 SLC34A2 (0.50) SLC34A2BRAFRAF1KDM4ECHRM3
SCHEMBL6000691 0.92 SLC34A2 (0.49) SLC34A2BRAFRAF1KDM4EROCK2
SCHEMBL39860 0.92 SLC34A2 (0.53) SLC34A2BRAFRAF1KDM4EROCK2
SCHEMBL16355250 0.91 SLC34A2 (0.51) SLC34A2BRAFRAF1KDM4EROCK2
SCHEMBL15432502 0.91 SLC34A2 (0.52) SLC34A2BRAFRAF1KDM4EROCK2
SCHEMBL6002472 0.91 SLC34A2 (0.55) SLC34A2BRAFRAF1KDM4EROCK2
SCHEMBL39979 0.90 SLC34A2 (0.53) SLC34A2BRAFRAF1KDM4EROCK2

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-2590656-B1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX INC (US) 2017-11-15 EP disclosed
EP-2591354-B1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX INC (US) 2016-09-07 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