Naphthoquinone

Naphthoquinone

SCHEMBL29148131

O=C1C=CC(=O)c2ccccc21.O=S(=O)([O-])O.O=S(=O)([O-])O.[K+].[Na+]

nearest known ligand 0.61

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

CYP51cyp51Acyp51c

The experimentally established mechanism targets of Naphthoquinone. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 5/20 0.61
IDO1 P14902 4/20 0.61
MAOA P21397 3/20 0.61
PIN1 Q13526 2/20 0.61
EHMT2 Q96KQ7 2/20 0.61
MAOB P27338 2/20 0.61
SNCA P37840 2/20 0.61
AKT1 P31749 1/20 0.61
MAP2K1 Q02750 1/20 0.61
NSD1 Q96L73 1/20 0.61
EHMT1 Q9H9B1 1/20 0.61
PTPN1 P18031 4/20 0.46
MEN1 O00255 8/20 0.43
KMT2A Q03164 8/20 0.43
ALDH1A1 P00352 8/20 0.43
MAPT P10636 7/20 0.43
THRB P10828 4/20 0.43
RECQL P46063 4/20 0.43
KDM4E B2RXH2 4/20 0.43
HPGD P15428 4/20 0.43

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 SCHEMBL5157257 0.89 IDO1 (0.70) CDC25BIDO1MAOAPIN1EHMT2
Naphthoquinone SCHEMBL27601003 0.86 IDO1 (0.74) CDC25BIDO1MAOAPIN1EHMT2
Naphthoquinone SCHEMBL8156848 0.84 IDO1 (0.70) CDC25BIDO1MAOAPIN1EHMT2
Naphthoquinone SCHEMBL8156846 0.84 IDO1 (0.70) CDC25BIDO1MAOAPIN1EHMT2
Naphthoquinone SCHEMBL5157263 0.84 IDO1 (0.70) CDC25BIDO1MAOAPIN1EHMT2
Naphthoquinone SCHEMBL14764076 0.80 CDC25B (0.64) CDC25BIDO1MAOAPIN1EHMT2
Naphthoquinone SCHEMBL14765271 0.80 CDC25B (0.64) CDC25BIDO1MAOAPIN1EHMT2
Naphthoquinone SCHEMBL28572909 0.78 CDC25B (0.61) CDC25BIDO1MAOAPIN1EHMT2
Naphthoquinone SCHEMBL27749420 0.78 CDC25B (0.61) CDC25BIDO1MAOAPIN1EHMT2
Naphthoquinone SCHEMBL11359780 0.78 IDO1 (1.00) 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-112167466-B Orange-flavor Australian freshwater lobster culture feed and processing technology thereof 广东东腾饲料有限公司 2023-12-05 CN disclosed