SCHEMBL29952053

SCHEMBL29952053

Cc1cn(C(=O)OC(C)(C)C)cc1B(O)O

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
USP2 O75604 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GPR119 Q8TDV5 5/20 0.35
BCHE P06276 1/20 0.34
HTT P42858 1/20 0.33
ATM Q13315 1/20 0.33
ESR2 Q92731 1/20 0.33
LMNA P02545 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL28813437 0.85 KMT2A (0.41) KMT2AMEN1USP2SMN1; SMN2GPR119
SCHEMBL29953110 0.81 MEN1 (0.40) KMT2AMEN1USP2SMN1; SMN2GPR119
SCHEMBL29951277 0.79 HTT (0.36) KMT2AMEN1USP2SMN1; SMN2GPR119
SCHEMBL29951583 0.74 NOTUM (0.30)
SCHEMBL15252478 0.74 BCHE (0.40) KMT2AMEN1USP2SMN1; SMN2GPR119
SCHEMBL5184141 0.73 BCHE (0.47) KMT2AMEN1GPR119BCHEL3MBTL1
SCHEMBL23727854 0.72 MEN1 (0.41) KMT2AMEN1GPR119BCHEESR2
SCHEMBL1668950 0.71 BCHE (0.36) KMT2AMEN1GPR119BCHEESR2
SCHEMBL21541706 0.71 BUB1 (0.37) KMT2AMEN1GPR119BCHEESR2
SCHEMBL13559889 0.71 BCHE (0.41) KMT2AMEN1USP2SMN1; SMN2GPR119

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