SCHEMBL30454328

SCHEMBL30454328

CC(C)(C)OC(=O)c1ccc2ncnc-2[nH]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 12/20 0.38
GABRG2 P18507 12/20 0.38
GABRB3 P28472 12/20 0.38
GABRA3 P34903 12/20 0.38
GABRA2 P47869 12/20 0.38
GABRA5 P31644 10/20 0.38
GABRA6 Q16445 9/20 0.38
GABRA4 P48169 5/20 0.38
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRB2 P47870 1/20 0.38
GABRE P78334 1/20 0.38
GABRG1 Q8N1C3 1/20 0.38
GABRG3 Q99928 1/20 0.38
GABRQ Q9UN88 1/20 0.38
KDM4E B2RXH2 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL25405409 0.85 KDM4E (0.47) KDM4EALDH1A1LMNAGLAGAA
SCHEMBL28601405 0.78 GABRA1 (0.42) GABRA1GABRG2GABRB3GABRA3GABRA2
Hydrochloric Acid SCHEMBL20268115 0.76 PIN1 (0.43) KDM4E
SCHEMBL19878642 0.70 GABRA1 (0.41) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL12065780 0.66 KIT (0.37) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL7165649 0.66 HCAR2 (0.52) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL12867867 0.65 ALOX15 (0.48) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL5838109 0.64 ALDH1A1 (0.39) KDM4EALDH1A1
SCHEMBL645520 0.63 RAB9A (0.56) GAA
SCHEMBL1871973 0.62 HSD17B10 (0.53) KDM4EL3MBTL1ALDH1A1LMNAGLA

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
CN-113227068-B GLP-1R agonists and uses thereof 上海齐鲁锐格医药研发有限公司 2023-06-13 CN disclosed