SCHEMBL19593386

SCHEMBL19593386

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

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SLC9A3 P48764 9/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ LMNA P02545 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ TUBB1 Q9H4B7 1/20 0.39
▸ S1PR4 O95977 1/20 0.38
▸ S1PR1 P21453 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ DHODH Q02127 1/20 0.37

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
SCHEMBL13286042 0.90 MEN1 (0.47) SLC9A3MEN1KMT2ALMNAMAPT
SCHEMBL20404536 0.88 SLC9A3 (0.39) SLC9A3MEN1KMT2ALMNAMAPT
SCHEMBL19593826 0.87 SLC9A3 (0.39) SLC9A3MEN1KMT2ALMNAMAPT
SCHEMBL13286043 0.86 SLC9A3 (0.46) SLC9A3
SCHEMBL7023341 0.86 SLC9A3 (0.48) SLC9A3
SCHEMBL7651694 0.86 SLC9A3 (0.48) SLC9A3
SCHEMBL22371397 0.85 SLC9A3 (0.40) SLC9A3MEN1KMT2ALMNAMAPT
SCHEMBL16638603 0.84 SLC9A3 (0.51) SLC9A3
SCHEMBL19594048 0.84 ESR1 (0.43) SLC9A3TUBB1
SCHEMBL24380143 0.84 SLC9A3 (0.54) 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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