SCHEMBL299969

SCHEMBL299969

CS(=O)(=O)c1c(CC=O)ccc2c1COC2=O

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 16/20 0.44
KCNH2 Q12809 8/20 0.42
ACHE P22303 1/20 0.34
SSTR1 P30872 1/20 0.34
SLC6A4 P31645 1/20 0.34
PRF1 P14222 1/20 0.32

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
SCHEMBL296398 0.80 KCNJ1 (0.60) KCNJ1KCNH2ACHESSTR1SLC6A4
SCHEMBL2732045 0.80 KCNJ1 (0.41) KCNJ1KCNH2ACHESSTR1SLC6A4
SCHEMBL4549464 0.77 KCNJ1 (0.45) KCNJ1KCNH2ACHESSTR1SLC6A4
SCHEMBL4549443 0.77 KCNJ1 (0.45) KCNJ1KCNH2ACHESSTR1SLC6A4
SCHEMBL2732707 0.77 KCNJ1 (0.45) KCNJ1KCNH2ACHESSTR1SLC6A4
SCHEMBL10286949 0.77 KCNJ1 (0.45) KCNJ1KCNH2ACHESSTR1SLC6A4
SCHEMBL2729903 0.75 KCNJ1 (0.45) KCNJ1KCNH2ACHESSTR1SLC6A4
SCHEMBL3808243 0.75 KCNJ1 (0.43) KCNJ1KCNH2ACHESSTR1SLC6A4
SCHEMBL300175 0.75 KCNJ1 (0.43) KCNJ1KCNH2ACHESSTR1SLC6A4
SCHEMBL14921946 0.74 KCNJ1 (0.50) 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 2 patents. 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
WO-2010129379-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2010-11-11 WO disclosed