SCHEMBL28124672

SCHEMBL28124672

Nc1c(CCOc2ccccc2)cc(O)c2c1C(=O)c1ccccc1C2=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 1/20 0.47
▸ AURKB Q96GD4 1/20 0.47
▸ KCNA3 P22001 1/20 0.45
▸ MEN1 O00255 6/20 0.43
▸ KMT2A Q03164 6/20 0.43
▸ MAPT P10636 6/20 0.43
▸ TDP1 Q9NUW8 5/20 0.43
▸ MAPK1 P28482 3/20 0.43
▸ HPGD P15428 2/20 0.43
▸ MAOA P21397 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ DAPK1 P53355 2/20 0.43
▸ TTR P02766 2/20 0.43
▸ RECQL P46063 2/20 0.43
▸ CYP1A1 P04798 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ HSPD1 P10809 1/20 0.43
▸ ALOX15 P16050 1/20 0.43

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
SCHEMBL10895437 0.83 KCNA3 (0.52) AURKAAURKBKCNA3MEN1KMT2A
SCHEMBL11759366 0.82 KCNA3 (0.58) AURKAAURKBKCNA3MEN1KMT2A
SCHEMBL12311505 0.82 KCNA3 (0.54) AURKAAURKBKCNA3MEN1KMT2A
SCHEMBL11753411 0.81 KCNA3 (0.56) AURKAAURKBKCNA3MEN1KMT2A
SCHEMBL11591306 0.81 AURKA (0.54) AURKAAURKBMEN1KMT2AMAPT
SCHEMBL11761460 0.79 MEN1 (0.46) AURKAAURKBKCNA3MEN1KMT2A
SCHEMBL10086156 0.79 KCNA3 (0.47) AURKAAURKBKCNA3MEN1KMT2A
SCHEMBL11327828 0.78 AURKA (0.56) AURKAAURKBMEN1KMT2AMAPT
SCHEMBL11755924 0.77 MEN1 (0.43) AURKAAURKBKCNA3MEN1KMT2A
SCHEMBL10809976 0.76 KCNA3 (0.44) AURKAAURKBKCNA3MEN1KMT2A

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-106630078-A Straw-containing polymeric flocculant and preparation method thereof 徐州工程学院 2017-05-10 — — CN disclosed
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