SCHEMBL28405071

SCHEMBL28405071

O=[N+]([O-])c1cccc(-c2cccc3c2Nc2ccccc2S3)c1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SNCA P37840 3/20 0.59
TDP2 O95551 2/20 0.44
PTPRC P08575 1/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 2/20 0.42
ALDH1A1 P00352 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PGR P06401 4/20 0.42
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
GGT1 P19440 1/20 0.41
GSK3B P49841 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
SCHEMBL29242236 0.79 NOX1 (0.55) SNCAKMT2AMAPTALDH1A1NPSR1
SCHEMBL1901331 0.79 NOX1 (0.55) SNCAKMT2AMAPTALDH1A1NPSR1
Bromide SCHEMBL2776934 0.77 NOX1 (0.53) SNCAKMT2AMAPTALDH1A1NPSR1
SCHEMBL28403299 0.77 MAPT (0.56) TDP2PTPRCKMT2AMAPTALDH1A1
SCHEMBL30274184 0.77 NOX1 (0.67) SNCAKMT2AMAPTALDH1A1NPSR1
SCHEMBL10530491 0.77 NOX1 (0.67) SNCAKMT2AMAPTALDH1A1NPSR1
SCHEMBL27856740 0.76 NOX1 (0.53) SNCAKMT2AMAPTALDH1A1NPSR1
SCHEMBL28514723 0.76 NOX1 (0.55) SNCAKMT2AMAPTALDH1A1NPSR1
SCHEMBL30229111 0.75 SNCA (0.64) SNCATDP2PGR
SCHEMBL3953679 0.75 SNCA (0.55) SNCATDP2KMT2AMAPTALDH1A1

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
CN-111087364-B Antibacterial diamine prepared from medical intermediate and preparation method thereof 广东高义包装科技股份有限公司 2023-03-31 CN disclosed
CN-111087364-A Antibacterial diamine prepared from medical intermediate and preparation method thereof 湖南工业大学 2020-05-01 CN disclosed