SCHEMBL28528487

SCHEMBL28528487

NC(=O)OCCCC[C@H](NC(=O)c1ccccc1)C(=O)Nc1nc(-c2ccccc2)cs1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 12/20 0.56
HDAC1 Q13547 12/20 0.56
HDAC4 P56524 12/20 0.56
HDAC2 Q92769 11/20 0.56
HDAC3 O15379 10/20 0.56
HDAC7 Q8WUI4 10/20 0.56
HDAC10 Q969S8 10/20 0.56
HDAC11 Q96DB2 10/20 0.56
HDAC8 Q9BY41 10/20 0.56
HDAC9 Q9UKV0 10/20 0.56
HDAC5 Q9UQL6 10/20 0.56
SCD O00767 1/20 0.52
MEF2D Q14814 2/20 0.49
EP300 Q09472 1/20 0.49
PARP1 P09874 1/20 0.49
ADORA3 P0DMS8 1/20 0.48

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
SCHEMBL21224170 0.87 HDAC6 (0.58) HDAC6HDAC1HDAC4HDAC2HDAC3
SCHEMBL21224166 0.87 HDAC6 (0.58) HDAC6HDAC1HDAC4HDAC2HDAC3
SCHEMBL28529767 0.86 HDAC6 (0.67) HDAC6HDAC1HDAC4HDAC2HDAC3
SCHEMBL21241916 0.84 SCD (0.58) HDAC6HDAC1HDAC4HDAC2HDAC3
SCHEMBL21241784 0.84 SCD (0.58) HDAC6HDAC1HDAC4HDAC2HDAC3
SCHEMBL28528489 0.83 HDAC6 (0.58) HDAC6HDAC1HDAC4HDAC2HDAC3
SCHEMBL21241915 0.82 HDAC6 (0.57) HDAC6HDAC1HDAC4HDAC2HDAC3
SCHEMBL21241793 0.82 HDAC6 (0.57) HDAC6HDAC1HDAC4HDAC2HDAC3
SCHEMBL21224489 0.81 SCD (0.60) HDAC6HDAC1HDAC4HDAC2HDAC3
SCHEMBL21224491 0.81 SCD (0.60) HDAC6HDAC1HDAC4HDAC2HDAC3

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
CN-112153984-A Compound and use thereof 福宏治疗公司 2020-12-29 CN disclosed