SCHEMBL28528489

SCHEMBL28528489

O=C(O)NCCCCC(NC(=O)c1ccccc1)C(=O)Nc1nc(-c2ccccc2)cs1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 11/20 0.58
HDAC1 Q13547 10/20 0.58
HDAC3 O15379 9/20 0.58
HDAC4 P56524 9/20 0.58
HDAC7 Q8WUI4 9/20 0.58
HDAC2 Q92769 9/20 0.58
HDAC10 Q969S8 9/20 0.58
HDAC11 Q96DB2 9/20 0.58
HDAC8 Q9BY41 9/20 0.58
HDAC9 Q9UKV0 9/20 0.58
HDAC5 Q9UQL6 9/20 0.58
SCD O00767 1/20 0.55
PARP1 P09874 1/20 0.52
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
GAA P10253 1/20 0.51
MAPT P10636 1/20 0.51
PHGDH O43175 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
SCHEMBL21241915 0.92 HDAC6 (0.57) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL21241793 0.92 HDAC6 (0.57) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL21224173 0.92 HDAC6 (0.62) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL21224170 0.88 HDAC6 (0.58) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL21224166 0.88 HDAC6 (0.58) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL21241784 0.86 SCD (0.58) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL21241916 0.86 SCD (0.58) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL23705489 0.84 HDAC6 (0.76) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL28529768 0.84 HDAC6 (0.76) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL21224489 0.84 SCD (0.60) HDAC6HDAC1HDAC3HDAC4HDAC7

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