SCHEMBL29956095

SCHEMBL29956095

CN(C(=O)OC(C)(C)C)c1ccccc1B(O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.40
BRD4 O60885 2/20 0.38
ENPP2 Q13822 1/20 0.34
MEN1 O00255 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TSPO P30536 1/20 0.33
MAPK1 P28482 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CREBBP Q92793 1/20 0.33
BCHE P06276 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 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
SCHEMBL21084775 0.86 PAX8 (0.46) PAX8BRD4MEN1RAB9AKMT2A
SCHEMBL12117478 0.80 LIPE (0.43) PAX8BRD4ALDH1A1TP53MAPT
SCHEMBL24190075 0.79 PAX8 (0.40) PAX8BRD4MEN1RAB9AKMT2A
SCHEMBL30346189 0.79 PAX8 (0.40) PAX8BRD4MEN1RAB9AKMT2A
SCHEMBL29837226 0.79 PAX8 (0.41) PAX8BRD4MEN1RAB9AKMT2A
SCHEMBL30568129 0.79 PAX8 (0.41) PAX8BRD4MEN1RAB9AKMT2A
SCHEMBL6317211 0.79 MEN1 (0.41) PAX8BRD4MEN1RAB9AKMT2A
SCHEMBL13311040 0.79 PAX8 (0.41) PAX8BRD4MEN1RAB9AKMT2A
SCHEMBL27808345 0.77 LIPE (0.46) PAX8BRD4MEN1KMT2ATSPO
SCHEMBL13299608 0.77 TSHR (0.45) ENPP2MEN1KMT2ATSPOALDH1A1

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