SCHEMBL28414623

SCHEMBL28414623

O=C(CS)NCCCCCNC(=O)c1cnc(N2CCN(c3ccccc3)CC2)nc1

nearest known ligand 0.76

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 15/20 0.76
DRD3 P35462 2/20 0.52
HTR1A P08908 1/20 0.52
HTR2A P28223 1/20 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
SCHEMBL28408663 0.91 HDAC6 (0.75) HDAC6DRD3HTR1AHTR2A
SCHEMBL2228828 0.86 HDAC6 (1.00) HDAC6
SCHEMBL28413850 0.85 HDAC6 (0.73) HDAC6
SCHEMBL30309434 0.79 HDAC6 (0.49) HDAC6DRD3HTR1AHTR2A
SCHEMBL2225175 0.76 HDAC6 (1.00) HDAC6
SCHEMBL28410590 0.76 HDAC6 (0.72) HDAC6
SCHEMBL1364346 0.75 HDAC1 (0.76) HDAC6
SCHEMBL1364426 0.75 HDAC1 (0.76) HDAC6
SCHEMBL28408662 0.75 HDAC6 (0.74) HDAC6
SCHEMBL2225339 0.74 HDAC6 (1.00) HDAC6

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