SCHEMBL17991934

SCHEMBL17991934

CNSc1ccc(Oc2c(F)cc(/C=C(\C)C(=O)N=C(N)N)cc2F)cc1

nearest known ligand 0.59

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ SLC9A3 P48764 14/20 0.57

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
SCHEMBL19593613 0.87 SLC9A3 (0.60) SLC9A3
SCHEMBL24201396 0.86 SLC9A3 (0.55) SLC9A3
SCHEMBL24201394 0.86 SLC9A3 (0.54) SLC9A3
SCHEMBL23469959 0.85 SLC9A3 (0.51) SLC9A3
SCHEMBL16883963 0.85 SLC9A3 (0.60) SLC9A3
SCHEMBL24201327 0.85 SLC9A3 (0.53) SLC9A3
SCHEMBL20953588 0.83 SLC9A3 (0.56) SLC9A3
SCHEMBL19593354 0.83 SLC9A3 (0.52) SLC9A3
SCHEMBL19593451 0.83 SLC9A3 (0.62) SLC9A3
SCHEMBL23469997 0.83 SLC9A3 (0.52) 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
US-9408840-B2 Compounds and methods for inhibiting NHE-mediated antiport in the treatment of disorders associated with fluid retention or salt overload and gastrointestinal tract disorder ARDELYX, INC. (US) 2016-08-09 — — US disclosed
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