SCHEMBL28408697

SCHEMBL28408697

CN(c1ncc(C(=O)NCCCCCNC(=O)CS)cn1)c1c(Cl)cccc1Cl

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 20/20 0.53
HDAC1 Q13547 7/20 0.52
HDAC10 Q969S8 5/20 0.52
HDAC8 Q9BY41 5/20 0.52
HDAC2 Q92769 4/20 0.52
HDAC3 O15379 2/20 0.49
HDAC7 Q8WUI4 2/20 0.49
HDAC4 P56524 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
NCOR2 Q9Y618 1/20 0.45

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
SCHEMBL28975352 0.91 HDAC6 (0.53) HDAC6HDAC1HDAC10HDAC8HDAC2
SCHEMBL28408662 0.77 HDAC6 (0.74) HDAC6HDAC1HDAC10HDAC8HDAC2
SCHEMBL19598457 0.74 HDAC6 (0.75) HDAC6HDAC1HDAC10HDAC8HDAC2
SCHEMBL28891374 0.71 HDAC6 (0.57) HDAC6HDAC1HDAC10HDAC8HDAC2
SCHEMBL2226885 0.70 HDAC6 (1.00) HDAC6HDAC1HDAC10HDAC8HDAC2
SCHEMBL15725397 0.70 HDAC6 (0.84) HDAC6HDAC1HDAC10HDAC8HDAC2
SCHEMBL2225248 0.70 HDAC6 (1.00) HDAC6HDAC1HDAC10HDAC8HDAC2
SCHEMBL15725406 0.70 HDAC6 (0.84) HDAC6HDAC1HDAC10HDAC8HDAC2
SCHEMBL1364346 0.69 HDAC1 (0.76) HDAC6HDAC1HDAC10HDAC8HDAC2
SCHEMBL1364426 0.69 HDAC1 (0.76) HDAC6HDAC1HDAC10HDAC8HDAC2

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-110885316-B Sulfhydryl compound as histone deacetylase inhibitor and application thereof 上海中泽医药科技有限公司 2023-03-28 CN disclosed
CN-110885316-A Sulfhydryl compound as histone deacetylase inhibitor and application thereof 上海中泽医药科技有限公司 2020-03-17 CN disclosed