SCHEMBL28279154

SCHEMBL28279154

O=C(CCc1ccccc1)Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.73
GAA P10253 3/20 0.73
MEN1 O00255 4/20 0.67
KMT2A Q03164 4/20 0.67
HTT P42858 3/20 0.65
HDAC3 O15379 1/20 0.64
HDAC1 Q13547 1/20 0.64
HDAC2 Q92769 1/20 0.64
HDAC10 Q969S8 1/20 0.64
HDAC11 Q96DB2 1/20 0.64
HDAC8 Q9BY41 1/20 0.64
HDAC6 Q9UBN7 1/20 0.64
NCOR2 Q9Y618 1/20 0.64
RAB9A P51151 2/20 0.62
XBP1 P17861 2/20 0.62
NPSR1 Q6W5P4 1/20 0.62
KDM4E B2RXH2 1/20 0.62
ALOX12 P18054 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.61
ALDH1A1 P00352 2/20 0.60

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
SCHEMBL27546658 0.86 MAPT (0.60) MAPTGAAMEN1KMT2AHTT
SCHEMBL29550745 0.86 KMT2A (0.84) MAPTGAAMEN1KMT2AHTT
SCHEMBL5122417 0.84 LMNA (0.72) MAPTGAAMEN1KMT2AHTT
SCHEMBL30791574 0.84 MAPT (0.71) MAPTGAAMEN1KMT2AHTT
SCHEMBL5142569 0.84 MAPT (0.77) MAPTGAAMEN1KMT2AHTT
SCHEMBL433736 0.82 MEN1 (0.71) MAPTGAAMEN1KMT2AHTT
SCHEMBL963689 0.82 HDAC3 (0.70) MAPTGAAMEN1KMT2AHTT
SCHEMBL5142590 0.82 MAPT (0.77) MAPTGAAMEN1KMT2AHTT
SCHEMBL31236338 0.82 MAPT (0.77) MAPTGAAMEN1KMT2AHTT
SCHEMBL27567007 0.82 SLC1A3 (0.59) MAPTGAAHTTRAB9AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112601734-B Oximino naphthoquinone compound and preparation method and application thereof 普济生物科技(台州)有限公司 2023-05-23 CN claimed
CN-112601734-B Oximino naphthoquinone compound and preparation method and application thereof 普济生物科技(台州)有限公司 2023-05-23 CN disclosed
CN-109438277-A Oximido naphthoquinone compound and its preparation method and application 普济生物科技(台州)有限公司 2019-03-08 CN disclosed