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Anthraquinone

Anthraquinone

SCHEMBL28037262

BrCc1ccccc1.O=C1c2ccccc2C(=O)c2ccccc21

nearest known ligand 0.67

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.67
▸ TRPA1 O75762 1/20 0.67
▸ TSHR P16473 1/20 0.67
▸ MEN1 O00255 3/20 0.57
▸ KMT2A Q03164 3/20 0.57
▸ CDC25B P30305 1/20 0.57
▸ MAPK1 P28482 3/20 0.48
▸ LMNA P02545 3/20 0.48
▸ MAPT P10636 3/20 0.48
▸ RAB9A P51151 3/20 0.48
▸ CES2 O00748 2/20 0.48
▸ CES1 P23141 2/20 0.48
▸ NPC1 O15118 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ POLB P06746 2/20 0.48
▸ THRB P10828 2/20 0.48
▸ S100A4 P26447 2/20 0.48
▸ GALK1 P51570 2/20 0.48
▸ BLM P54132 2/20 0.48

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
Benzyl Bromide SCHEMBL5757393 0.82 TSHR (1.00) ALDH1A1TRPA1TSHRCES2CES1
Benzyl Bromide SCHEMBL5964841 0.82 — —
Benzyl Bromide SCHEMBL1066 0.82 — —
Benzyl Bromide SCHEMBL9000955 0.82 TSHR (1.00) ALDH1A1TRPA1TSHRCES2CES1
Benzyl Bromide SCHEMBL1331189 0.82 — —
SCHEMBL20389321 0.82 TSHR (1.00) ALDH1A1TRPA1TSHRCES2CES1
SCHEMBL479017 0.80 NPC1 (0.66) ALDH1A1TRPA1TSHRMEN1KMT2A
Benzyl Bromide SCHEMBL28123486 0.79 TSHR (0.82) ALDH1A1TRPA1TSHRCES2CES1
Benzyl Bromide SCHEMBL905931 0.79 — —
Benzyl Bromide SCHEMBL128357 0.79 — —

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105523948-B 1,4-dihydroxy anthraquinone bisbenzyl quaternary ammonium salt having water solubility and anticancer activity 福州大学 2017-05-10 — — CN claimed
CN-105152941-B Anthraquinone compound with both alkylation reactive group and lipophilic positive ion 福州大学 2017-05-10 — — CN claimed
CN-105523948-A 1,4-dihydroxy anthraquinone bisbenzyl quaternary ammonium salt having water solubility and anticancer activity UNIV FUZHOU 2016-04-27 — — CN claimed
CN-105152941-A Anthraquinone compound with both alkylation reactive group and lipophilic positive ion UNIV FUZHOU 2015-12-16 — — CN claimed
CN-105523948-B 1,4-dihydroxy anthraquinone bisbenzyl quaternary ammonium salt having water solubility and anticancer activity 福州大学 2017-05-10 — — CN disclosed
CN-105523948-B 1,4-dihydroxy anthraquinone bisbenzyl quaternary ammonium salt having water solubility and anticancer activity 福州大学 2017-05-10 — — CN disclosed
CN-105152941-B Anthraquinone compound with both alkylation reactive group and lipophilic positive ion 福州大学 2017-05-10 — — CN disclosed
CN-105152941-B Anthraquinone compound with both alkylation reactive group and lipophilic positive ion 福州大学 2017-05-10 — — CN disclosed
CN-105523948-A 1,4-dihydroxy anthraquinone bisbenzyl quaternary ammonium salt having water solubility and anticancer activity UNIV FUZHOU 2016-04-27 — — CN disclosed
CN-105523948-A 1,4-dihydroxy anthraquinone bisbenzyl quaternary ammonium salt having water solubility and anticancer activity UNIV FUZHOU 2016-04-27 — — CN disclosed
CN-105481742-A Anthraquinonyl thioureas with anti-leukemia activity and water solubility, and preparation method thereof FUJIAN MEDICAL UNIV UNION HOSPITAL 2016-04-13 — — CN disclosed
CN-105152941-A Anthraquinone compound with both alkylation reactive group and lipophilic positive ion UNIV FUZHOU 2015-12-16 — — CN disclosed
CN-105152941-A Anthraquinone compound with both alkylation reactive group and lipophilic positive ion UNIV FUZHOU 2015-12-16 — — CN disclosed