SCHEMBL29953514

SCHEMBL29953514

O=[N+]([O-])c1ccc(B(O)O)c2cnccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.52
HTT P42858 6/20 0.52
POLB P06746 1/20 0.49
LMNA P02545 3/20 0.46
TDP1 Q9NUW8 4/20 0.45
GAA P10253 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HIPK2 Q9H2X6 1/20 0.45
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 3/20 0.42
CTSB P07858 3/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
BRD4 O60885 1/20 0.41
HSP90AA1 P07900 1/20 0.41
CHRM1 P11229 1/20 0.41
DRD2 P14416 1/20 0.41
ALOX12 P18054 1/20 0.41

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
SCHEMBL11817125 0.83 MAPT (0.64) MAPTHTTPOLBLMNATDP1
SCHEMBL13483429 0.79 MAPT (0.52) MAPTHTTPOLBLMNATDP1
SCHEMBL5921938 0.79 CTSB (0.61) MAPTHTTPOLBLMNATDP1
SCHEMBL25201869 0.78 ALDH1A1 (0.41) MAPTHTTPOLBGAAHIPK2
SCHEMBL21155430 0.78 ALDH1A1 (0.45) MAPTHTTPOLBGAAHIPK2
SCHEMBL5656353 0.78 MAPT (0.56) MAPTHTTPOLBLMNATDP1
SCHEMBL3577339 0.76 MAPT (0.52) MAPTHTTPOLBLMNATDP1
SCHEMBL619318 0.76 MAPT (0.52) MAPTHTTPOLBLMNATDP1
SCHEMBL31451862 0.76 MAPT (0.54) MAPTHTTPOLBLMNATDP1
SCHEMBL1351778 0.76 MAPT (0.56) MAPTHTTPOLBLMNATDP1

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