SCHEMBL29953747

SCHEMBL29953747

CC(C)(C)OC(=O)NCc1cncc(B(O)O)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.47
NAMPT P43490 2/20 0.45
CYP3A4 P08684 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.42
KDM4A O75164 1/20 0.40
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
GLS O94925 3/20 0.38
HDAC1 Q13547 1/20 0.37
GAA P10253 1/20 0.37
GRM2 Q14416 1/20 0.37
CACNA1H O95180 1/20 0.37
CACNA1B Q00975 1/20 0.37
CACNA1C Q13936 1/20 0.37
BRD4 O60885 1/20 0.36
MAPT P10636 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
RECQL P46063 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL13858800 1.00 DYRK1A (0.47) DYRK1ANAMPTCYP3A4L3MBTL1KDM4A
SCHEMBL2066975 0.84 DYRK1A (0.43) DYRK1ANAMPTCYP3A4L3MBTL1KDM4A
SCHEMBL24139848 0.82 DYRK1A (0.50) DYRK1ANAMPTCYP3A4L3MBTL1KDM4A
SCHEMBL16020299 0.82 DYRK1A (0.50) DYRK1ANAMPTCYP3A4L3MBTL1KDM4A
SCHEMBL19234753 0.81 NAMPT (0.51) DYRK1ANAMPTCYP3A4L3MBTL1KDM4A
SCHEMBL10264054 0.81 DYRK1A (0.49) DYRK1ANAMPTCYP3A4L3MBTL1KDM4A
SCHEMBL13999418 0.81 DYRK1A (0.49) DYRK1ANAMPTCYP3A4L3MBTL1KDM4A
SCHEMBL18041429 0.81 DYRK1A (0.49) DYRK1ANAMPTCYP3A4L3MBTL1KDM4A
SCHEMBL30827831 0.81 DYRK1A (0.49) DYRK1ANAMPTCYP3A4L3MBTL1KDM4A
SCHEMBL13975437 0.81 DYRK1A (0.49) DYRK1ANAMPTCYP3A4L3MBTL1KDM4A

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed