SCHEMBL28615437

SCHEMBL28615437

CONC(=O)C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 7/20 0.62
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 2/20 0.44
CES1 P23141 1/20 0.43
TSHR P16473 1/20 0.42
GAA P10253 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 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
SCHEMBL4447296 0.82 HDAC3 (0.63) KCNN4HDAC3HDAC4HDAC1HDAC7
SCHEMBL28627442 0.82 MAPT (0.57) KCNN4HDAC3HDAC4HDAC1HDAC7
SCHEMBL6904745 0.81 CES1 (0.58) KCNN4HDAC3HDAC4HDAC1HDAC7
Triphenylacetic Acid Methyl Ester SCHEMBL7258414 0.77 KCNN4 (1.00) KCNN4HDAC3HDAC4HDAC1HDAC7
SCHEMBL19870991 0.77 KCNN4 (0.57) KCNN4HDAC3HDAC4HDAC1HDAC7
SCHEMBL5635835 0.77 KCNN4 (0.52) KCNN4HDAC3HDAC4HDAC1HDAC7
SCHEMBL1818707 0.75 PPARA (0.47) KCNN4HDAC3HDAC4HDAC1HDAC7
SCHEMBL2028143 0.75 KCNN4 (0.43) KCNN4HDAC3HDAC4HDAC1HDAC7
SCHEMBL616520 0.75 KCNN4 (0.43) KCNN4HDAC3HDAC4HDAC1HDAC7
SCHEMBL4524605 0.74 HDAC8 (0.63) KCNN4HDAC3HDAC4HDAC1HDAC7

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 2 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 disclosed
CN-113214134-A Synthesis method of quaternary carbon oxoindole skeleton 南通大学 2021-08-06 CN disclosed