SCHEMBL29208282

SCHEMBL29208282

[2H]C([2H])([2H])n1c(C)ncc(C(=O)O)c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.44
ALDH1A1 P00352 2/20 0.44
GAA P10253 1/20 0.44
PKM P14618 1/20 0.44
CHEK1 O14757 1/20 0.41
LIMK1 P53667 1/20 0.41
DYRK1A Q13627 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
GABRP O00591 2/20 0.39
GABRD O14764 2/20 0.39
GABRA1 P14867 2/20 0.39
GABRB1 P18505 2/20 0.39
GABRG2 P18507 2/20 0.39
GABRB3 P28472 2/20 0.39
GABRA5 P31644 2/20 0.39
GABRA3 P34903 2/20 0.39
GABRA2 P47869 2/20 0.39
GABRB2 P47870 2/20 0.39
GABRA4 P48169 2/20 0.39
GABRE P78334 2/20 0.39

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
SCHEMBL23900461 0.87 KDM4E (0.47) KDM4EALDH1A1GAAPKMCHEK1
SCHEMBL30086903 0.71 NNMT (0.41) KDM4EALDH1A1GABRPGABRDGABRA1
SCHEMBL11559241 0.70 NOTUM (0.52) KDM4EALDH1A1GAAPKMHPGD
SCHEMBL23888705 0.69 HTT (0.44) KDM4EALDH1A1GAAPKMCHEK1
SCHEMBL7233738 0.68 ALDH1A1 (0.40) KDM4EALDH1A1GAAPKMCHEK1
SCHEMBL23147426 0.67 NOTUM (0.52) KDM4EALDH1A1GAAPKMTDP1
SCHEMBL23888694 0.67 CHEK1 (0.40) KDM4EALDH1A1GAAPKMCHEK1
SCHEMBL7996974 0.66 KMT2A (0.38) KDM4EALDH1A1GAAPKMDYRK1A
SCHEMBL28147239 0.65 MEN1 (0.53) KDM4EALDH1A1CLK4KMT2AHPGD
SCHEMBL6556406 0.64 KDM4E (0.37) KDM4EALDH1A1GAAPKMCHEK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117777103-A Amide compound and application thereof 和记黄埔医药(上海)有限公司 2024-03-29 CN disclosed
CN-117720520-A Amide compound and application thereof 和记黄埔医药(上海)有限公司 2024-03-19 CN disclosed
EP-4126844-A1 AMIDE COMPOUNDS AND USES THEREOF Hutchison Medipharma Limited (CN) 2023-02-08 EP disclosed
CN-115315422-A Amide compound and application thereof 和记黄埔医药(上海)有限公司 2022-11-08 CN disclosed