SCHEMBL28403299

SCHEMBL28403299

O=[N+]([O-])c1cccc(-c2cccc3c2Nc2ccccc2O3)c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.56
KMT2A Q03164 6/20 0.56
MEN1 O00255 5/20 0.56
POLB P06746 5/20 0.56
ALDH1A1 P00352 4/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
TDP2 O95551 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
LMNA P02545 3/20 0.44
HTT P42858 3/20 0.44
KDM4E B2RXH2 2/20 0.44
HPGD P15428 1/20 0.44
NPC1 O15118 3/20 0.44
ALOX5 P09917 1/20 0.44
PTPRC P08575 1/20 0.43
RAB9A P51151 2/20 0.43
NPSR1 Q6W5P4 1/20 0.42
PGR P06401 4/20 0.42
GAA P10253 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
Phenoxazine SCHEMBL27280590 0.82 MAPT (0.65) MAPTKMT2AMEN1POLBALDH1A1
SCHEMBL2774415 0.79 ALOX5 (0.57) MAPTKMT2AMEN1POLBALDH1A1
Bromide SCHEMBL2778445 0.77 ALOX5 (0.55) MAPTKMT2AMEN1POLBALDH1A1
SCHEMBL28424272 0.77 ALDH1A1 (0.43) MAPTKMT2AMEN1POLBALDH1A1
SCHEMBL28405071 0.77 SNCA (0.59) MAPTKMT2AMEN1POLBALDH1A1
SCHEMBL2043484 0.75 ALOX5 (0.53) MAPTKMT2AMEN1POLBALDH1A1
SCHEMBL29636451 0.75 MAPT (0.72) MAPTKMT2AMEN1POLBALDH1A1
SCHEMBL30811587 0.75 MAPT (0.72) MAPTKMT2AMEN1POLBALDH1A1
SCHEMBL21628256 0.75 MAPT (0.72) MAPTKMT2AMEN1POLBALDH1A1
SCHEMBL9093133 0.75 ALOX5 (0.50) MAPTKMT2AMEN1POLBALDH1A1

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
CN-111087360-A Diamine with novel structure and preparation method and application thereof 湖南工业大学 2020-05-01 CN disclosed