SCHEMBL27886286

SCHEMBL27886286

NC(=S)NN=C1c2ccccc2C(=O)c2c(O)cc(C=O)c(O)c21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.48
▸ KMT2A Q03164 5/20 0.48
▸ GAA P10253 3/20 0.48
▸ MAPT P10636 4/20 0.42
▸ KDM4E B2RXH2 3/20 0.42
▸ L3MBTL1 Q9Y468 3/20 0.42
▸ MAOA P21397 2/20 0.42
▸ HPGD P15428 2/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ TTR P02766 1/20 0.42
▸ CYP1A1 P04798 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ HSPD1 P10809 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ ALOX12 P18054 1/20 0.42
▸ ACHE P22303 1/20 0.42
▸ MAOB P27338 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ BRCA1 P38398 1/20 0.42

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
SCHEMBL28047900 0.81 MEN1 (0.59) MEN1KMT2AGAAMAPTKDM4E
SCHEMBL27870090 0.78 MEN1 (0.66) MEN1KMT2AMAPTKDM4EL3MBTL1
SCHEMBL16210519 0.68 KMT2A (1.00) MEN1KMT2AGAAMAPTL3MBTL1
SCHEMBL3276060 0.66 MEN1 (0.63) MEN1KMT2AGAAMAPTKDM4E
SCHEMBL16226881 0.65 MAPT (0.60) MEN1KMT2AMAPTKDM4EL3MBTL1
SCHEMBL3276058 0.63 KMT2A (0.50) MEN1KMT2AGAAMAPTKDM4E
SCHEMBL15864613 0.63 MAPT (0.62) MEN1KMT2AMAPTKDM4EL3MBTL1
SCHEMBL14680498 0.62 MAPT (0.61) MEN1KMT2AMAPTKDM4EL3MBTL1
SCHEMBL15676390 0.62 MAPT (0.54) MEN1KMT2AMAPTKDM4EL3MBTL1
SCHEMBL10599995 0.62 MEN1 (0.72) MEN1KMT2AMAPTKDM4EL3MBTL1

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
CN-102627593-A 1,4-dihydroxy-2-formyl-9,10 anthraquinone thiosemicarbazone new compound with anticancer activity and preparation method thereof UNIV HENAN NORMAL 2012-08-08 — — CN disclosed
CN-102627593-A 1,4-dihydroxy-2-formyl-9,10 anthraquinone thiosemicarbazone new compound with anticancer activity and preparation method thereof UNIV HENAN NORMAL 2012-08-08 — — CN disclosed
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