SCHEMBL27358258

SCHEMBL27358258

O=C(/C=C/c1cccc(S(=O)(=O)Nc2ccccc2)c1)NOCc1ccc(O)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 15/20 0.73
HDAC4 P56524 15/20 0.73
HDAC1 Q13547 15/20 0.73
HDAC7 Q8WUI4 15/20 0.73
HDAC2 Q92769 15/20 0.73
HDAC10 Q969S8 15/20 0.73
HDAC11 Q96DB2 15/20 0.73
HDAC8 Q9BY41 15/20 0.73
HDAC6 Q9UBN7 15/20 0.73
HDAC9 Q9UKV0 15/20 0.73
HDAC5 Q9UQL6 15/20 0.73
BRD4 O60885 1/20 0.64
ESR1 P03372 1/20 0.64
PTGS1 P23219 1/20 0.64
PDE4A P27815 1/20 0.64
PIK3CA P42336 1/20 0.64
HTR6 P50406 1/20 0.64
PDE4D Q08499 1/20 0.64
ASPH Q12797 1/20 0.64
NAMPT P43490 3/20 0.49

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
SCHEMBL20214210 0.91 HDAC3 (0.70) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL20214211 0.91 HDAC3 (0.70) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL20214566 0.85 HDAC1 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL19862461 0.82 HDAC1 (0.74) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL22018078 0.81 HDAC1 (0.72) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL12808803 0.79 HDAC1 (0.81) HDAC3HDAC4HDAC1HDAC7HDAC2
Belinostat SCHEMBL29712104 0.79 HDAC1 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
Belinostat SCHEMBL375906 0.79 HDAC1 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
Belinostat SCHEMBL29379950 0.79 HDAC1 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
Belinostat SCHEMBL375656 0.79 HDAC1 (1.00) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023242278-A1 COMPOUNDS FOR USE IN THE TREATMENT OF KIDNEY DISEASES UNIVERSITÄTSMEDIZIN GREIFSWALD (DE) 2023-12-21 WO disclosed