Naphthoquinone

Naphthoquinone

SCHEMBL28299526

O=C1C=CC(=O)c2ccccc21.[N-]=[N+]=C1CC(=O)c2ccccc2C1=O

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 5/20 0.47
MAOA P21397 4/20 0.47
CDC25B P30305 4/20 0.47
MAOB P27338 2/20 0.47
SNCA P37840 2/20 0.47
AKT1 P31749 1/20 0.47
MAP2K1 Q02750 1/20 0.47
PIN1 Q13526 1/20 0.47
EHMT2 Q96KQ7 1/20 0.47
NSD1 Q96L73 1/20 0.47
EHMT1 Q9H9B1 1/20 0.47
MEN1 O00255 5/20 0.35
KMT2A Q03164 5/20 0.35
MAPT P10636 5/20 0.35
ALDH1A1 P00352 5/20 0.35
KDM4E B2RXH2 4/20 0.35
HPGD P15428 4/20 0.35
BCHE P06276 3/20 0.35
CES1 P23141 3/20 0.35
LMNA P02545 3/20 0.35

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
SCHEMBL26761 0.91 MEN1 (0.42) IDO1MAOACDC25BMEN1KMT2A
Hydrochloric Acid SCHEMBL7597249 0.90 MEN1 (0.41) IDO1MAOACDC25BMEN1KMT2A
SCHEMBL29530894 0.90 MEN1 (0.41) IDO1MAOACDC25BMEN1KMT2A
SCHEMBL4895477 0.85 MEN1 (0.37) IDO1MAOACDC25BMEN1KMT2A
SCHEMBL3273520 0.85 MEN1 (0.37) IDO1MAOACDC25BMEN1KMT2A
Sulfuric Acid SCHEMBL3680446 0.85 MEN1 (0.37) IDO1MAOACDC25BMEN1KMT2A
SCHEMBL5698405 0.82 MEN1 (0.34) IDO1MAOACDC25BMEN1KMT2A
Phenol SCHEMBL28798223 0.82 APAF1 (0.38) MAOACDC25BMEN1KMT2AMAPT
SCHEMBL28905967 0.80 CES1 (0.39) IDO1MAOACDC25BMAOBSNCA
Benzophenone SCHEMBL28692346 0.80 ALDH1A1 (0.42) CDC25BMEN1KMT2AMAPTALDH1A1

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-109752884-A A kind of alignment film, preparation method and display device 京东方科技集团股份有限公司 2019-05-14 CN disclosed