Naphthoquinone

Naphthoquinone

SCHEMBL27677906

C1=CCC=C1.O=C1C=CC(=O)c2ccccc21

nearest known ligand 0.67

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 6/20 0.67
IDO1 P14902 4/20 0.67
MAOA P21397 4/20 0.67
PIN1 Q13526 2/20 0.67
EHMT2 Q96KQ7 2/20 0.67
MAOB P27338 2/20 0.67
SNCA P37840 2/20 0.67
AKT1 P31749 1/20 0.67
MAP2K1 Q02750 1/20 0.67
NSD1 Q96L73 1/20 0.67
EHMT1 Q9H9B1 1/20 0.67
MEN1 O00255 6/20 0.41
KMT2A Q03164 6/20 0.41
MAPT P10636 5/20 0.41
ALDH1A1 P00352 5/20 0.41
RECQL P46063 4/20 0.41
KDM4E B2RXH2 4/20 0.41
HPGD P15428 4/20 0.41
ALOX15 P16050 4/20 0.41
THRB P10828 3/20 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
Naphthoquinone SCHEMBL29354680 0.82 IDO1 (1.00) CDC25BIDO1MAOAPIN1EHMT2
Naphthoquinone SCHEMBL8861335 0.82 IDO1 (1.00) CDC25BIDO1MAOAPIN1EHMT2
Naphthoquinone SCHEMBL11359780 0.82 IDO1 (1.00) CDC25BIDO1MAOAPIN1EHMT2
Naphthoquinone SCHEMBL42139 0.82 IDO1 (1.00) CDC25BIDO1MAOAPIN1EHMT2
Anthraquinone SCHEMBL28005668 0.80 MEN1 (0.63) CDC25BIDO1MAOAMAOBMEN1
Naphthoquinone SCHEMBL28613886 0.79 CDC25B (0.82) CDC25BIDO1MAOAPIN1EHMT2
Naphthoquinone SCHEMBL5049300 0.79 IDO1 (0.93) CDC25BIDO1MAOAPIN1EHMT2
Naphthoquinone SCHEMBL2722901 0.79 IDO1 (0.93) CDC25BIDO1MAOAPIN1EHMT2
Naphthoquinone SCHEMBL10908172 0.79 IDO1 (0.93) CDC25BIDO1MAOAPIN1EHMT2
Naphthoquinone SCHEMBL722080 0.79 IDO1 (0.93) CDC25BIDO1MAOAPIN1EHMT2

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-101029003-A Method for synthesizing vitamin k solanine UNIV BEIJING CHEMICAL (CN) 2007-09-05 CN disclosed