SCHEMBL26024872

SCHEMBL26024872

CC(C)(C)OC(=O)NCc1cc(BO)n[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
KDM4E B2RXH2 1/20 0.46
GFER P55789 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
HSD17B10 Q99714 1/20 0.41
KDM4A O75164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
CACNA1H O95180 1/20 0.39
CACNA1B Q00975 1/20 0.39
CACNA1C Q13936 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
PARP1 P09874 1/20 0.39
HPGD P15428 1/20 0.36
NAMPT P43490 1/20 0.35
BCHE P06276 1/20 0.34
TDP1 Q9NUW8 2/20 0.34
CA12 O43570 1/20 0.34

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
SCHEMBL5019115 0.83 LMNA (0.50) LMNAKDM4EGFERL3MBTL1HSD17B10
SCHEMBL12961297 0.82 LMNA (0.51) LMNAKDM4EGFERL3MBTL1HSD17B10
SCHEMBL26025189 0.78 LMNA (0.46) LMNAKDM4EGFERL3MBTL1HSD17B10
SCHEMBL6818984 0.78 CACNA1H (0.46) LMNAKDM4EGFERL3MBTL1HSD17B10
SCHEMBL30706635 0.76 KDM4E (0.44) LMNAKDM4EGFERL3MBTL1HSD17B10
SCHEMBL22084601 0.76 KDM4E (0.47) LMNAKDM4EGFERL3MBTL1HSD17B10
SCHEMBL26025432 0.74 KDM4E (0.43) LMNAKDM4EGFERL3MBTL1HSD17B10
SCHEMBL24276960 0.73 KDM4E (0.41) LMNAKDM4EGFERL3MBTL1HSD17B10
SCHEMBL24249420 0.72 KDM4E (0.48) LMNAKDM4EGFERL3MBTL1HSD17B10
SCHEMBL13073857 0.72 CYP2D6 (0.53) LMNAKDM4EGFERL3MBTL1HSD17B10

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
WO-2023154282-A1 COMPOUNDS HAVING A T-STRUCTURE FORMED BY AT LEAST FOUR CYCLES FOR USE IN THE TREATMENT OF CANCER AND OTHER INDICATIONS THERAS, INC. (US) 2023-08-17 WO disclosed