SCHEMBL29953840

SCHEMBL29953840

CCOc1ncc(B(O)O)cc1N

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 6/20 0.33
MAPK9 P45984 5/20 0.33
HSD17B10 Q99714 3/20 0.33
ALDH1A1 P00352 3/20 0.33
MAPT P10636 2/20 0.33
PRKD3 O94806 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPK10 P53779 2/20 0.33
PRKD2 Q9BZL6 2/20 0.33
MAPK1 P28482 2/20 0.33
MAP4K4 O95819 1/20 0.33
MAP4K2 Q12851 1/20 0.33
PKN2 Q16513 1/20 0.33
STK17A Q9UEE5 1/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NPC1 O15118 2/20 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
SCHEMBL30788168 0.82 MAPT (0.49) ALDH1A1MAPTKDM4ECASP1AURKA
SCHEMBL356911 0.82 MAPT (0.49) ALDH1A1MAPTKDM4ECASP1AURKA
SCHEMBL31032949 0.81 HPGD (0.33) HSD17B10ALDH1A1MAPTMEN1KMT2A
SCHEMBL16734396 0.81 SLC13A5 (0.33) ALDH1A1MAPTMEN1KMT2AMAPK1
SCHEMBL14659133 0.79 SYK (0.31) L3MBTL1
SCHEMBL14120573 0.79 RORC (0.39) MAPK8MAPTKMT2AMAPK1KDM4E
SCHEMBL27325484 0.76 TDP1 (0.39) MAPK8MAPK9HSD17B10ALDH1A1MAPT
SCHEMBL2389322 0.76 CFTR (0.39) MAPK1KDM4ECFTR
SCHEMBL29951747 0.76 KDM4E (0.37) MAPK8MAPK9HSD17B10MAPTPRKD3
SCHEMBL393863 0.76 KDM4E (0.37) MAPK8MAPK9HSD17B10MAPTPRKD3

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