SCHEMBL19593448

SCHEMBL19593448

COC(=O)/C(C)=C/c1cc(F)c(Oc2ccc(S)cc2)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TUBB1 Q9H4B7 2/20 0.42
▸ SLC9A3 P48764 11/20 0.42

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
SCHEMBL23469949 0.87 ESR1 (0.42) TUBB1SLC9A3
SCHEMBL19593632 0.84 SLC9A3 (0.42) TUBB1SLC9A3
SCHEMBL20404624 0.83 SLC9A3 (0.36) TUBB1SLC9A3
SCHEMBL2572999 0.83 SLC9A3 (0.50) SLC9A3
SCHEMBL2572996 0.83 SLC9A3 (0.50) SLC9A3
SCHEMBL19661929 0.83 SLC9A3 (0.48) SLC9A3
SCHEMBL2577308 0.79 SLC9A3 (0.60) SLC9A3
SCHEMBL2577309 0.79 SLC9A3 (0.60) SLC9A3
SCHEMBL19593832 0.77 SLC9A3 (0.39) TUBB1SLC9A3
SCHEMBL2575299 0.76 SLC9A3 (0.49) 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 1 patent. 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
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