SCHEMBL286572

SCHEMBL286572

Cc1cc2c(c(C)c1Br)COC2=O.Cc1ccc(CO)c(C)c1Br

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 15/20 0.41
KCNH2 Q12809 9/20 0.41
ACHE P22303 1/20 0.37
SSTR1 P30872 1/20 0.37
SLC6A4 P31645 1/20 0.37
AR P10275 1/20 0.36
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
ALOX5 P09917 1/20 0.33

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
SCHEMBL286354 0.84 KCNJ1 (0.46) KCNJ1KCNH2ACHESSTR1SLC6A4
SCHEMBL22718938 0.78 KCNJ1 (0.62) KCNJ1KCNH2ACHESSTR1SLC6A4
SCHEMBL287086 0.74 PDCD1 (0.39) PDCD1CD274
SCHEMBL23513349 0.72 KCNJ1 (0.44) KCNJ1KCNH2ACHESSTR1SLC6A4
SCHEMBL23496685 0.69 KCNJ1 (0.44) KCNJ1KCNH2ACHESSTR1SLC6A4
SCHEMBL23496739 0.69 KCNJ1 (0.47) KCNJ1KCNH2ACHESSTR1SLC6A4
SCHEMBL19264534 0.67 KCNJ1 (0.68) KCNJ1KCNH2ACHESSTR1SLC6A4
SCHEMBL2897757 0.67 KCNJ1 (0.40) KCNJ1KCNH2ACHESSTR1SLC6A4
SCHEMBL15036782 0.66 KCNJ1 (0.64) KCNJ1KCNH2ACHESSTR1SLC6A4
SCHEMBL19433455 0.66 KCNJ1 (0.66) KCNJ1KCNH2ACHESSTR1SLC6A4

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-2427444-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL Merck Sharp & Dohme Corp. (US) 2012-03-14 EP disclosed