SCHEMBL28622611

SCHEMBL28622611

CC(C)ONC(=O)C(C)(c1ccccc1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.59
HDAC4 P56524 2/20 0.59
HDAC1 Q13547 2/20 0.59
HDAC7 Q8WUI4 2/20 0.59
HDAC2 Q92769 2/20 0.59
HDAC10 Q969S8 2/20 0.59
HDAC11 Q96DB2 2/20 0.59
HDAC8 Q9BY41 2/20 0.59
HDAC6 Q9UBN7 2/20 0.59
HDAC9 Q9UKV0 2/20 0.59
HDAC5 Q9UQL6 2/20 0.59
KDM4E B2RXH2 1/20 0.50
CNR1 P21554 1/20 0.50
CNR2 P34972 1/20 0.50
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
KMT2A Q03164 2/20 0.44
MAPT P10636 1/20 0.44
KCNN4 O15554 1/20 0.43
MEN1 O00255 1/20 0.40

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
SCHEMBL7720891 0.83 HDAC3 (0.66) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4447296 0.81 HDAC3 (0.63) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL28625693 0.78 HDAC3 (0.63) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8113597 0.77 HDAC3 (0.68) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2844474 0.75 HDAC3 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4373828 0.75 HDAC3 (0.70) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8387476 0.75 HDAC3 (0.68) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7418194 0.73 HDAC3 (0.61) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL24479317 0.72 L3MBTL1 (0.34) NPSR1
Bromide SCHEMBL27764653 0.72 HDAC3 (0.59) HDAC3HDAC4HDAC1HDAC7HDAC2

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-113214134-B Synthesis method of quaternary carbon oxoindole skeleton 南通大学 2022-08-30 CN claimed
CN-113214134-B Synthesis method of quaternary carbon oxoindole skeleton 南通大学 2022-08-30 CN disclosed
CN-113214134-A Synthesis method of quaternary carbon oxoindole skeleton 南通大学 2021-08-06 CN disclosed