SCHEMBL22326014

SCHEMBL22326014

CC(C)(C)OC(=O)COc1cccc([N+](=O)[O-])c1N

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.54
HTT P42858 1/20 0.54
KMT2A Q03164 4/20 0.47
KDM4E B2RXH2 2/20 0.47
MEN1 O00255 1/20 0.45
DDB1 Q16531 1/20 0.43
CRBN Q96SW2 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
POLB P06746 3/20 0.41
GAA P10253 2/20 0.41
MAPT P10636 1/20 0.41
NPC1 O15118 1/20 0.40
RECQL P46063 1/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL2635654 0.87 ALDH1A1 (0.72) ALDH1A1HTTKMT2AKDM4EMEN1
SCHEMBL214187 0.86 ALDH1A1 (0.56) ALDH1A1HTTKMT2AKDM4EMEN1
SCHEMBL30952856 0.85 ALDH1A1 (0.54) ALDH1A1HTTKMT2AKDM4EMEN1
SCHEMBL5799758 0.83 ALDH1A1 (0.54) ALDH1A1HTTKMT2AKDM4EMEN1
SCHEMBL30938979 0.82 ALDH1A1 (0.52) ALDH1A1HTTKMT2AKDM4EMEN1
SCHEMBL22325959 0.81 ALDH1A1 (0.41) ALDH1A1HTTKMT2AKDM4EMEN1
SCHEMBL5417319 0.81 KMT2A (0.55) ALDH1A1HTTKMT2AKDM4EMEN1
SCHEMBL214562 0.81 DDB1 (0.51) ALDH1A1HTTKMT2AKDM4EMEN1
SCHEMBL29893813 0.80 ALDH1A1 (0.41) ALDH1A1HTTKMT2AKDM4EMEN1
Hydrochloric Acid SCHEMBL214478 0.80 DDB1 (0.50) ALDH1A1HTTKMT2AKDM4EMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020162471-A1 PYRIDONE DERIVATIVE マルホ株式会社 2020-08-13 WO disclosed
CN-1922141-A Novel heterocyclic compound DAINIPPON SUMITOMO PHARMA CO (JP) 2007-02-28 CN disclosed