Naphthoquinone

Naphthoquinone

SCHEMBL8523737

O=C1C=CC(=O)c2ccccc21.c1ccc(COCc2ccccc2)cc1

nearest known ligand 0.62

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.62
TOP1 P11387 1/20 0.59
MAOA P21397 3/20 0.58
MAOB P27338 3/20 0.58
CDC25B P30305 2/20 0.58
IDO1 P14902 2/20 0.58
AKT1 P31749 1/20 0.58
SNCA P37840 1/20 0.58
MAP2K1 Q02750 1/20 0.58
PIN1 Q13526 1/20 0.58
EHMT2 Q96KQ7 1/20 0.58
NSD1 Q96L73 1/20 0.58
EHMT1 Q9H9B1 1/20 0.58
MAPK1 P28482 1/20 0.45
PTPN1 P18031 2/20 0.43
PTPRC P08575 1/20 0.43
DAO P14920 1/20 0.42
GSTP1 P09211 1/20 0.41
AGXT P21549 1/20 0.40
ALDH1A1 P00352 1/20 0.39

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
Anthraquinone SCHEMBL8469578 0.83 TSHR (0.68) TSHRMAOACDC25BAKT1MAPK1
Benzoquinone SCHEMBL8469988 0.80 TSHR (0.71) TSHRMAOAMAOBIDO1MAPK1
Naphthoquinone SCHEMBL27489572 0.79 CDC25B (0.93) TSHRTOP1MAOAMAOBCDC25B
SCHEMBL27380 0.79 TSHR (1.00) TSHRIDO1AGXTALDH1A1CA1
Benzene SCHEMBL27997624 0.79 TSHR (1.00) TSHRIDO1AGXTALDH1A1CA1
SCHEMBL5311581 0.79 TSHR (1.00) TSHRIDO1AGXTALDH1A1CA1
SCHEMBL28301231 0.77 TSHR (0.83) TSHRIDO1MAPK1DAOAGXT
SCHEMBL1009266 0.77 TSHR (0.94) TSHRIDO1AGXTALDH1A1CA1
SCHEMBL10317949 0.77 TSHR (0.94) TSHRIDO1AGXTALDH1A1CA1
SCHEMBL9795394 0.77 TSHR (0.94) TSHRMAOBIDO1AGXTCA1

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
US-5942370-A MULTICOLOR PHOTOPOLYMERIZATION CIBA SPECIALTY CHEMICALS CORPORATION (US) 1999-08-24 US disclosed
US-5677107-A PHOTOHARDENABLE FILM WITH PHOTORESPONSIVE AGENT; IRRADIATING SELECTIVE PORTIONS OF CROSS-SECTIONAL PATTERNS THAT ARE TO BE COLORED DIFFERENTLY SPECTRA GROUP LIMITED, INC. (US) 1997-10-14 US disclosed