SCHEMBL24254467

SCHEMBL24254467

CN(c1ccccc1)c1ccc(O)c(C=O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.48
TRIM24 O15164 1/20 0.46
TRIM33 Q9UPN9 1/20 0.46
ERN1 O75460 10/20 0.45
MAPT P10636 3/20 0.42
MEN1 O00255 3/20 0.42
ALDH1A1 P00352 3/20 0.42
KMT2A Q03164 3/20 0.42
LMNA P02545 3/20 0.42
NPC1 O15118 2/20 0.42
POLB P06746 2/20 0.42
RAB9A P51151 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
GAA P10253 1/20 0.42
THRB P10828 1/20 0.42
PLCG1 P19174 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
HCRTR1 O43613 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
SCHEMBL11443303 0.87 TRIM24 (0.46) HSP90AA1TRIM24TRIM33MAPTMEN1
SCHEMBL4401250 0.80 ERN1 (0.52) TRIM24TRIM33ERN1CDK1CCR6
SCHEMBL29954002 0.80 ERN1 (0.52) TRIM24TRIM33ERN1CDK1CCR6
SCHEMBL3992952 0.75 HSP90AA1 (0.49) HSP90AA1MAPTMEN1ALDH1A1KMT2A
SCHEMBL27814045 0.75 MAPT (0.58) HSP90AA1TRIM24TRIM33ERN1MAPT
SCHEMBL11825152 0.74 ALDH1A1 (0.59) MAPTMEN1ALDH1A1KMT2ALMNA
SCHEMBL11537712 0.73 TYR (0.45) TRIM24TRIM33ERN1MAPTMEN1
SCHEMBL11543786 0.73 KDM4E (0.41) TRIM24TRIM33ERN1MAPTMEN1
SCHEMBL5462848 0.72 ALDH1A1 (0.57) ERN1MAPTMEN1ALDH1A1KMT2A
SCHEMBL31268246 0.72 ALDH1A1 (0.57) ERN1MAPTMEN1ALDH1A1KMT2A

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
WO-2022035763-A1 BORON CONTAINING COMPOUNDS AND THEIR USES 5METIS, INC. (US) 2022-02-17 WO disclosed