SCHEMBL28970478

SCHEMBL28970478

NNC(=O)c1csc(-c2cccnc2)n1

nearest known ligand 0.78

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.78
HDAC2 Q92769 1/20 0.71
IRAK4 Q9NWZ3 9/20 0.70
TLR7 Q9NYK1 1/20 0.69
NPC1 O15118 2/20 0.66
RAB9A P51151 2/20 0.66
MAPK1 P28482 1/20 0.62
ATM Q13315 1/20 0.62
GAA P10253 1/20 0.62
MAPT P10636 1/20 0.62
ALDH1A1 P00352 1/20 0.58
CYP19A1 P11511 1/20 0.57
AXL P30530 1/20 0.57
PBRM1 Q86U86 1/20 0.57
MKNK1 Q9BUB5 1/20 0.57
MKNK2 Q9HBH9 1/20 0.57

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
SCHEMBL24755152 0.87 HDAC6 (1.00) HDAC6HDAC2IRAK4TLR7NPC1
SCHEMBL11388948 0.86 HDAC6 (0.78) HDAC6HDAC2IRAK4TLR7NPC1
SCHEMBL31350948 0.84 HDAC6 (0.70) HDAC6HDAC2IRAK4TLR7NPC1
SCHEMBL1812154 0.84 HDAC6 (0.70) HDAC6HDAC2IRAK4TLR7NPC1
SCHEMBL11511135 0.84 HDAC1 (0.74) HDAC6HDAC2IRAK4TLR7ATM
SCHEMBL2555278 0.84 HPGD (0.72) HDAC6IRAK4TLR7NPC1RAB9A
SCHEMBL28784680 0.84 HDAC6 (0.74) HDAC6HDAC2IRAK4TLR7NPC1
SCHEMBL28601973 0.83 HDAC6 (0.69) HDAC6HDAC2IRAK4TLR7NPC1
SCHEMBL28966135 0.83 HDAC2 (1.00) HDAC6HDAC2IRAK4TLR7NPC1
SCHEMBL30285151 0.83 HDAC2 (1.00) HDAC6HDAC2IRAK4TLR7NPC1

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-115806503-B Selective histone deacetylase inhibitor and preparation method and application thereof 中国海洋大学 2025-03-07 CN disclosed
CN-115806503-A Selective histone deacetylase inhibitor as well as preparation method and application thereof 中国海洋大学 2023-03-17 CN disclosed