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Sugi Predict / Compounds / Naphthoquinone

Naphthoquinone

Naphthoquinone

SCHEMBL8525306

CCCCCCCOC1=CC(=O)C(=O)c2ccccc21.O=C1C=CC(=O)c2ccccc21

nearest known ligand 0.61

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Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PTPRC P08575 2/20 0.61
▸ CDC25B P30305 1/20 0.61
▸ PTPN1 P18031 5/20 0.61
▸ SOAT1 P35610 9/20 0.47
▸ APAF1 O14727 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ CES2 O00748 2/20 0.44
▸ CES1 P23141 2/20 0.44

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
SCHEMBL5595620 0.94 PTPRC (0.69) PTPRCCDC25BPTPN1SOAT1APAF1
SCHEMBL5595746 0.94 PTPRC (0.69) PTPRCCDC25BPTPN1SOAT1APAF1
SCHEMBL4294847 0.93 PTPRC (0.71) PTPRCCDC25BPTPN1SOAT1APAF1
SCHEMBL11247136 0.85 CDC25B (0.56) PTPRCCDC25BPTPN1SOAT1APAF1
SCHEMBL9713908 0.85 CDC25B (0.56) PTPRCCDC25BPTPN1SOAT1APAF1
SCHEMBL9628579 0.85 CDC25B (0.56) PTPRCCDC25BPTPN1SOAT1APAF1
SCHEMBL13611359 0.84 PTPN1 (0.69) PTPRCCDC25BPTPN1ALDH1A1CES2
SCHEMBL9444193 0.84 CDC25B (0.57) PTPRCCDC25BPTPN1SOAT1APAF1
Naphthoquinone SCHEMBL28157298 0.83 CDC25B (0.53) PTPRCCDC25BPTPN1SOAT1APAF1
SCHEMBL7718306 0.82 PTPRC (0.51) PTPRCCDC25BPTPN1SOAT1APAF1

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
US-5977187-A 4-substituted-1,2-naphthoquinones and their use in the inhibition of neoplastic cell growth WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1999-11-02 — — US disclosed