SCHEMBL4982009

SCHEMBL4982009

NC(=O)c1ccc(-c2ccccc2)c(CCN(c2cccnc2)c2cccnc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 8/20 0.47
MKNK2 Q9HBH9 7/20 0.47
CHEK2 O96017 2/20 0.43
PTAFR P25105 2/20 0.41
F7 P08709 1/20 0.40
F3 P13726 1/20 0.40
SARM1 Q6SZW1 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.40
SIRT6 Q8N6T7 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
SIRT3 Q9NTG7 1/20 0.40
SIRT5 Q9NXA8 1/20 0.40
SIRT4 Q9Y6E7 1/20 0.40
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
KCNA5 P22460 2/20 0.37
HTT P42858 1/20 0.37
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
DGAT2 Q96PD7 1/20 0.36

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
SCHEMBL4977669 0.87 CYP11B1 (0.54) PTAFRCYP11B1CYP11B2KCNA5HTT
SCHEMBL4975675 0.86 MKNK1 (0.47) MKNK1MKNK2PTAFRCYP11B1CYP11B2
SCHEMBL4975764 0.83 CYP46A1 (0.53) PTAFR
SCHEMBL4977077 0.81 CYP11B1 (0.53) PTAFRCYP11B1CYP11B2HTTGAA
SCHEMBL4979253 0.80 CYP11B2 (0.46) CYP11B1CYP11B2KCNA5KCNH2
SCHEMBL4975773 0.80 KCNA5 (0.39) CYP11B1CYP11B2KCNA5TSHRKCNH2
SCHEMBL4980305 0.80 KCNA5 (0.39) CYP11B1CYP11B2KCNA5HTTKCNH2
SCHEMBL2984193 0.79 MKNK1 (0.53) MKNK1MKNK2CHEK2PTAFRF7
SCHEMBL4977530 0.77 CYP11B1 (0.48) CYP11B1CYP11B2KCNA5KCNH2
SCHEMBL4979558 0.77 CYP11B2 (0.48) CYP11B1CYP11B2KCNA5GAAKCNH2

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-1993551-A2 POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2008-11-26 EP claimed
WO-2007089735-A2 POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2007-08-09 WO claimed