Plumbagin

Plumbagin

SCHEMBL28260352

CC1=CC(=O)c2c(O)cccc2C1=O.Clc1ccccc1[SeH]

nearest known ligand 0.71

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.71
ALDH1A1 P00352 7/20 0.71
KMT2A Q03164 7/20 0.71
MAPK1 P28482 6/20 0.71
KDM4E B2RXH2 6/20 0.71
RECQL P46063 6/20 0.71
MEN1 O00255 6/20 0.71
BLM P54132 4/20 0.71
HPGD P15428 4/20 0.71
CYP3A4 P08684 4/20 0.71
TDP1 Q9NUW8 4/20 0.71
SMN1; SMN2 Q16637 3/20 0.71
TP53 P04637 3/20 0.71
CDC25B P30305 3/20 0.71
ALOX15 P16050 3/20 0.71
HSD17B10 Q99714 3/20 0.71
CYP1A2 P05177 2/20 0.71
HSPD1 P10809 2/20 0.71
CDC25A P30304 2/20 0.71
HSPE1 P61604 2/20 0.71

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
Plumbagin SCHEMBL29386213 0.84 MAPT (1.00) MAPTALDH1A1KMT2AMAPK1KDM4E
Plumbagin SCHEMBL34186 0.84 MAPT (1.00) MAPTALDH1A1KMT2AMAPK1KDM4E
Plumbagin SCHEMBL28261630 0.83 MAPT (0.79) MAPTALDH1A1KMT2AMAPK1KDM4E
Plumbagin SCHEMBL27811730 0.83 MAPT (0.96) MAPTALDH1A1KMT2AMAPK1KDM4E
Plumbagin SCHEMBL3427829 0.80 MAPT (0.84) MAPTALDH1A1KMT2AMAPK1KDM4E
Plumbagin SCHEMBL28434705 0.80 MAPT (0.77) MAPTALDH1A1KMT2AMAPK1KDM4E
Plumbagin SCHEMBL28589491 0.79 MAPT (0.87) MAPTALDH1A1KMT2AMAPK1KDM4E
Plumbagin SCHEMBL2720467 0.79 MAPT (0.87) MAPTALDH1A1KMT2AMAPK1KDM4E
Plumbagin SCHEMBL28016669 0.78 MAPT (0.75) MAPTALDH1A1KMT2AMAPK1KDM4E
SCHEMBL23271685 0.78 MAPT (0.64) MAPTALDH1A1KMT2AMAPK1KDM4E

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-109020857-A Plumbagin selenide analog derivative and its preparation and application 浙江中贤生物科技有限公司 2018-12-18 CN disclosed