SCHEMBL29951747

SCHEMBL29951747

CCOc1ncc(B(O)O)cc1C#N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.37
MAPT P10636 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
MAPK8 P45983 6/20 0.34
MAPK9 P45984 5/20 0.34
MAPK10 P53779 3/20 0.34
PRKD3 O94806 2/20 0.34
PRKD2 Q9BZL6 2/20 0.34
MAP4K4 O95819 1/20 0.34
MAP4K2 Q12851 1/20 0.34
PKN2 Q16513 1/20 0.34
STK17A Q9UEE5 1/20 0.34
SRC P12931 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
SCHEMBL393863 1.00 KDM4E (0.37) KDM4EMAPTTDP1GAAL3MBTL1
SCHEMBL389682 0.84 GAA (0.40) KDM4EGAALMNACYP1A2CYP3A4
SCHEMBL391293 0.80 LMNA (0.43) LMNACYP11B1CYP11B2MAPK8MAPK9
SCHEMBL13678427 0.77 KDM4E (0.40) KDM4EMAPTTDP1GAAL3MBTL1
SCHEMBL16734396 0.77 SLC13A5 (0.33) MAPTGAAMAPK1
SCHEMBL31032949 0.77 HPGD (0.33) MAPTGAAHSD17B10
SCHEMBL20738207 0.76 MAPT (0.40) KDM4EMAPTTDP1GAAL3MBTL1
SCHEMBL14659133 0.76 SYK (0.31) L3MBTL1
SCHEMBL17776991 0.76 KDM4E (0.40) KDM4EMAPTTDP1GAAL3MBTL1
SCHEMBL13514630 0.76 KDM4E (0.40) KDM4EMAPTTDP1GAAL3MBTL1

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