SCHEMBL5216418

SCHEMBL5216418

CC(C)(CC(=O)O)C(NC(=O)c1ccc(Cl)cc1)N/C(=N/C#N)Nc1cccnc1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNJ11 Q14654 17/20 0.60
ABCC9 O60706 15/20 0.60
ABCC8 Q09428 11/20 0.60
KCNJ8 Q15842 11/20 0.60
CYP11B1 P15538 1/20 0.48
CYP11B2 P19099 1/20 0.48
NAMPT P43490 1/20 0.47

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
SCHEMBL5216424 1.00 KCNJ11 (0.60) KCNJ11ABCC9ABCC8KCNJ8CYP11B1
SCHEMBL5212875 0.92 KCNJ11 (0.58) KCNJ11ABCC9ABCC8KCNJ8CYP11B1
SCHEMBL5212871 0.92 KCNJ11 (0.58) KCNJ11ABCC9ABCC8KCNJ8CYP11B1
SCHEMBL5214753 0.91 KCNJ11 (0.62) KCNJ11ABCC9ABCC8KCNJ8CYP11B1
SCHEMBL5214748 0.91 KCNJ11 (0.62) KCNJ11ABCC9ABCC8KCNJ8CYP11B1
SCHEMBL4678184 0.90 KCNJ11 (0.67) KCNJ11ABCC9ABCC8KCNJ8CYP11B1
SCHEMBL4678190 0.90 KCNJ11 (0.67) KCNJ11ABCC9ABCC8KCNJ8CYP11B1
SCHEMBL4266846 0.90 KCNJ11 (0.67) KCNJ11ABCC9ABCC8KCNJ8CYP11B1
SCHEMBL4266843 0.90 KCNJ11 (0.67) KCNJ11ABCC9ABCC8KCNJ8CYP11B1
SCHEMBL13949268 0.90 KCNJ11 (0.67) KCNJ11ABCC9ABCC8KCNJ8CYP11B1

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-1198456-B1 POTASSIUM CHANNEL OPENERS ABBOTT LAB (US) 2007-09-19 EP claimed