SCHEMBL13285854

SCHEMBL13285854

C/C(=C\c1cc(F)c(Oc2ccc(S(=O)(=O)NCCOCCO)cc2)c(F)c1)C(=O)N=C(N)N

nearest known ligand 0.87

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ SLC9A3 P48764 14/20 0.87

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
SCHEMBL13449819 0.96 SLC9A3 (0.95) SLC9A3
SCHEMBL13449817 0.96 SLC9A3 (0.95) SLC9A3
SCHEMBL2564764 0.93 SLC9A3 (1.00) SLC9A3
SCHEMBL13276401 0.93 SLC9A3 (1.00) SLC9A3
SCHEMBL2566171 0.93 SLC9A3 (1.00) SLC9A3
SCHEMBL2566163 0.93 SLC9A3 (1.00) SLC9A3
SCHEMBL2564757 0.93 SLC9A3 (1.00) SLC9A3
SCHEMBL13276402 0.93 SLC9A3 (1.00) SLC9A3
SCHEMBL22371492 0.93 SLC9A3 (0.87) SLC9A3
SCHEMBL16473627 0.93 SLC9A3 (0.83) SLC9A3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2384318-B1 COMPOUNDS AND METHODS FOR INHIBITING NHE-MEDIATED ANTIPORT IN THE TREATMENT OF DISORDERS ASSOCIATED WITH FLUID RETENTION OR SALT OVERLOAD AND GASTROINTESTINAL TRACT DISORDERS ARDELYX INC (US) 2017-11-15 — — EP disclosed
WO-2014169094-A2 NHE3-BINDING COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC (US) 2014-10-16 — — WO disclosed
WO-2010078449-A2 COMPOUNDS AND METHODS FOR INHIBITING NHE-MEDIATED ANTIPORT IN THE TREATMENT OF DISORDERS ASSOCIATED WITH FLUID RETENTION OR SALT OVERLOAD AND GASTROINTESTINAL TRACT DISORDERS ARDELYX, INC. (US) 2010-07-08 — — WO disclosed
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