SCHEMBL28279153

SCHEMBL28279153

COc1cc(NC(=O)[C@H](N)Cc2ccccc2)cc(OC)c1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.66
L3MBTL1 Q9Y468 1/20 0.60
IDO1 P14902 2/20 0.57
TP53 P04637 1/20 0.55
THRB P10828 1/20 0.55
ROCK2 O75116 1/20 0.54
ROCK1 Q13464 1/20 0.54
RAB9A P51151 2/20 0.54
KMT2A Q03164 2/20 0.54
NPC1 O15118 1/20 0.54
HTT P42858 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
AAK1 Q2M2I8 1/20 0.53
STAT3 P40763 1/20 0.53
HDAC8 Q9BY41 1/20 0.52
POLB P06746 1/20 0.51

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
SCHEMBL28279155 1.00 MAPT (0.66) MAPTL3MBTL1IDO1TP53THRB
SCHEMBL27877588 0.90 RAB9A (0.67) MAPTIDO1ROCK2ROCK1RAB9A
SCHEMBL21880164 0.90 RAB9A (0.67) MAPTIDO1ROCK2ROCK1RAB9A
SCHEMBL21880165 0.90 RAB9A (0.67) MAPTIDO1ROCK2ROCK1RAB9A
SCHEMBL30453904 0.90 RAB9A (0.67) MAPTIDO1ROCK2ROCK1RAB9A
SCHEMBL6665555 0.88 KMT2A (0.65) MAPTL3MBTL1ROCK2ROCK1RAB9A
SCHEMBL30452307 0.88 KMT2A (0.65) MAPTL3MBTL1ROCK2ROCK1RAB9A
SCHEMBL7039856 0.85 HDAC8 (0.66) L3MBTL1RAB9AKMT2ANPC1HTT
SCHEMBL8120133 0.83 SLC7A5 (0.56) ROCK2ROCK1KMT2AAAK1HDAC8
SCHEMBL30453040 0.82 BACE1 (0.52) IDO1TP53ROCK2ROCK1HTT

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 disclosed
CN-112601734-A Oximido naphthoquinone compound and preparation method and application thereof 普济生物科技(台州)有限公司 2021-04-02 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