SCHEMBL28255802

SCHEMBL28255802

CC(C)C(=O)Nc1ccc(N(C)C)c(C(=O)NCc2ccncc2)c1

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNB1 Q14721 7/20 0.69
KCNH2 Q12809 3/20 0.69
KCNA5 P22460 2/20 0.64
KCNB2 Q92953 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.49
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
NAMPT P43490 7/20 0.47
MAPK1 P28482 1/20 0.45
GAA P10253 1/20 0.43

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
SCHEMBL28257373 0.87 KCNB1 (0.69) KCNB1KCNH2KCNA5KCNB2SMN1; SMN2
SCHEMBL29793677 0.87 KCNB1 (0.69) KCNB1KCNH2KCNA5KCNB2SMN1; SMN2
SCHEMBL28257359 0.82 KCNB1 (1.00) KCNB1KCNH2KCNA5KCNB2SMN1; SMN2
SCHEMBL28402258 0.81 KCNB1 (1.00) KCNB1KCNH2KCNA5KCNB2LMNA
SCHEMBL28257405 0.80 KCNB1 (0.70) KCNB1KCNH2KCNA5KCNB2LMNA
SCHEMBL28406389 0.79 KCNB1 (0.72) KCNB1KCNH2KCNA5KCNB2SMN1; SMN2
SCHEMBL29793630 0.79 GAA (0.52) KCNB1KCNH2SMN1; SMN2LMNAHTT
SCHEMBL28257360 0.79 GAA (0.52) KCNB1KCNH2SMN1; SMN2LMNAHTT
SCHEMBL28257391 0.78 KCNB1 (1.00) KCNB1KCNH2KCNA5KCNB2NPSR1
SCHEMBL28411195 0.76 KCNB1 (0.76) KCNB1KCNH2KCNA5KCNB2SMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108929263-B Arylamide Kv2.1 inhibitor and preparation method, pharmaceutical composition and application thereof 中国医学科学院药物研究所 2022-07-22 CN disclosed
CN-111108092-A Arylamide Kv2.1 inhibitor and preparation method, pharmaceutical composition and application thereof 中国医学科学院药物研究所 2020-05-05 CN disclosed
CN-108929263-A Aryl amide Kv2.1 inhibitor and preparation method thereof, pharmaceutical composition and purposes 中国医学科学院药物研究所 2018-12-04 CN disclosed