SCHEMBL19593632

SCHEMBL19593632

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

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ SLC9A3 P48764 12/20 0.42
▸ TUBB1 Q9H4B7 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
SCHEMBL19593445 0.88 SLC9A3 (0.41) SLC9A3TUBB1
SCHEMBL19593448 0.84 TUBB1 (0.42) SLC9A3TUBB1
SCHEMBL2572996 0.82 SLC9A3 (0.50) SLC9A3
SCHEMBL2572999 0.82 SLC9A3 (0.50) SLC9A3
SCHEMBL19593832 0.81 SLC9A3 (0.39) SLC9A3TUBB1
SCHEMBL19661929 0.80 SLC9A3 (0.48) SLC9A3
SCHEMBL19593826 0.76 SLC9A3 (0.39) SLC9A3TUBB1
SCHEMBL2577308 0.76 SLC9A3 (0.60) SLC9A3
SCHEMBL2577309 0.76 SLC9A3 (0.60) SLC9A3
SCHEMBL19593883 0.76 ESR1 (0.40) SLC9A3TUBB1

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-3939964-A1 COMBINATIONS FOR INHIBITING NHE-MEDIATED ANTIPORT IN THE TREATMENT OF DISORDERS ASSOCIATED WITH FLUID RETENTION OR SALT OVERLOAD AND GASTROINTESTINAL TRACT DISORDERS Ardelyx, Inc. (US) 2022-01-19 — — EP disclosed
EP-3351248-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) 2021-06-09 — — EP disclosed
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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