Anthraquinone

Anthraquinone

SCHEMBL28111879

Cc1cc(C)c2sc3ccccc3c(=O)c2c1.O=C1c2ccccc2C(=O)c2ccccc21

nearest known ligand 0.63

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.63
ALDH1A1 P00352 4/20 0.63
POLB P06746 2/20 0.63
L3MBTL1 Q9Y468 2/20 0.63
HCRTR1 O43613 1/20 0.63
LMNA P02545 1/20 0.63
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
ABCB1 P08183 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ELANE P08246 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
PABPC1 P11940 1/20 0.38
CSF1R P07333 1/20 0.37
MAOB P27338 2/20 0.36
MAOA P21397 2/20 0.36

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
Tectoquinone SCHEMBL28256297 0.94 MAPT (0.56) MAPTALDH1A1POLBL3MBTL1HCRTR1
SCHEMBL37310 0.93 MAPT (0.72) MAPTALDH1A1POLBL3MBTL1HCRTR1
SCHEMBL29352168 0.93 MAPT (0.72) MAPTALDH1A1POLBL3MBTL1HCRTR1
SCHEMBL28077276 0.88 ALDH1A1 (0.51) MAPTALDH1A1POLBL3MBTL1HCRTR1
SCHEMBL28293777 0.88 ALDH1A1 (0.53) MAPTALDH1A1POLBL3MBTL1HCRTR1
SCHEMBL21624607 0.86 ALDH1A1 (0.63) MAPTALDH1A1POLBL3MBTL1HCRTR1
SCHEMBL28090655 0.84 MAPT (0.46) MAPTALDH1A1POLBL3MBTL1HCRTR1
SCHEMBL15106811 0.80 MAPT (0.53) MAPTALDH1A1POLBL3MBTL1HCRTR1
SCHEMBL30278837 0.80 MAPT (0.53) MAPTALDH1A1POLBL3MBTL1HCRTR1
SCHEMBL14797839 0.80 MAPT (0.53) MAPTALDH1A1POLBL3MBTL1HCRTR1

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-106103633-A Ink-jet is used up and Thermocurable bonding agent, the manufacture method of semiconductor device and electronic unit 积水化学工业株式会社 2016-11-09 CN disclosed