SCHEMBL28675122

SCHEMBL28675122

CS(=O)(=O)CC[C@H](N)C(=O)Nc1nc(-c2ccccc2)cs1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 5/20 0.69
HDAC1 Q13547 4/20 0.54
HDAC3 O15379 3/20 0.54
HDAC4 P56524 3/20 0.54
HDAC7 Q8WUI4 3/20 0.54
HDAC2 Q92769 3/20 0.54
HDAC10 Q969S8 3/20 0.54
HDAC11 Q96DB2 3/20 0.54
HDAC8 Q9BY41 3/20 0.54
HDAC9 Q9UKV0 3/20 0.54
HDAC5 Q9UQL6 3/20 0.54
MAPT P10636 5/20 0.54
ALDH1A1 P00352 2/20 0.54
USP2 O75604 1/20 0.54
PKM P14618 1/20 0.54
ALOX15 P16050 1/20 0.54
MAPK1 P28482 1/20 0.54
ELOVL1 Q9BW60 1/20 0.52
GAA P10253 2/20 0.52
MEN1 O00255 3/20 0.52

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
SCHEMBL4950607 0.88 HDAC6 (0.68) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL21224494 0.87 HDAC6 (0.67) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL21224492 0.87 HDAC6 (0.67) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL31173179 0.87 HDAC6 (0.54) HDAC6HDAC4GAAMRE11
SCHEMBL21224198 0.86 HDAC6 (0.66) HDAC6HDAC1MAPTALDH1A1ELOVL1
SCHEMBL21224196 0.86 HDAC6 (0.66) HDAC6HDAC1MAPTALDH1A1ELOVL1
SCHEMBL21224178 0.85 HDAC6 (0.70) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL21224180 0.85 HDAC6 (0.70) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL22971724 0.84 HDAC6 (0.63) HDAC6MAPTALDH1A1ELOVL1GAA
SCHEMBL21241836 0.84 HDAC6 (0.63) HDAC6MAPTALDH1A1ELOVL1GAA

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-113645971-B Compounds and uses thereof 福宏治疗公司 2024-10-18 CN disclosed
CN-113645971-A Compound and use thereof 福宏治疗公司 2021-11-12 CN disclosed