SCHEMBL28402258

SCHEMBL28402258

CC(C)C(=O)Nc1ccc(N(C)C)c(C(=O)NCc2cccc(-c3ccccc3)c2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNB1 Q14721 7/20 1.00
KCNH2 Q12809 3/20 0.73
KCNA5 P22460 2/20 0.73
KCNB2 Q92953 1/20 0.61
LIPG Q9Y5X9 1/20 0.47
SENP1 Q9P0U3 3/20 0.46
SENP5 Q96HI0 1/20 0.46
SENP2 Q9HC62 1/20 0.46
ERAP2 Q6P179 1/20 0.46
ERAP1 Q9NZ08 1/20 0.46
LNPEP Q9UIQ6 1/20 0.46
HSD17B10 Q99714 1/20 0.44
NR1H4 Q96RI1 1/20 0.43
AOC3 Q16853 1/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL28411195 0.87 KCNB1 (0.76) KCNB1KCNH2KCNA5KCNB2SENP1
SCHEMBL28257391 0.84 KCNB1 (1.00) KCNB1KCNH2KCNA5KCNB2NPSR1
SCHEMBL28406389 0.84 KCNB1 (0.72) KCNB1KCNH2KCNA5KCNB2SENP1
SCHEMBL28257405 0.82 KCNB1 (0.70) KCNB1KCNH2KCNA5KCNB2LMNA
SCHEMBL29793677 0.82 KCNB1 (0.69) KCNB1KCNH2KCNA5KCNB2LMNA
SCHEMBL28257373 0.82 KCNB1 (0.69) KCNB1KCNH2KCNA5KCNB2LMNA
SCHEMBL28402250 0.81 KCNB1 (0.83) KCNB1KCNH2KCNA5KCNB2NR1H4
SCHEMBL28255802 0.81 KCNB1 (0.69) KCNB1KCNH2KCNA5KCNB2LMNA
SCHEMBL28257359 0.78 KCNB1 (1.00) KCNB1KCNH2KCNA5KCNB2HSD17B10
SCHEMBL28411165 0.78 KCNB1 (0.64) KCNB1KCNH2KCNA5KCNB2SENP1

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
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