SCHEMBL28606556

SCHEMBL28606556

CC(C)Cn1c2c(c3ccccc31)CN(C(=O)NCCCCCCC(=O)NO)CC2

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 15/20 0.59
▸ HDAC1 Q13547 9/20 0.59
▸ HDAC10 Q969S8 6/20 0.51
▸ HDAC8 Q9BY41 5/20 0.51
▸ HDAC3 O15379 2/20 0.51
▸ HDAC11 Q96DB2 2/20 0.51
▸ HDAC5 Q9UQL6 2/20 0.51
▸ PTGDR2 Q9Y5Y4 3/20 0.47
▸ NAMPT P43490 1/20 0.46
▸ KMT2A Q03164 1/20 0.44

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
SCHEMBL28614892 0.90 HDAC6 (0.62) HDAC6HDAC1HDAC10HDAC8HDAC3
SCHEMBL28605184 0.87 HDAC6 (0.54) HDAC6HDAC1HDAC10HDAC8HDAC3
SCHEMBL28605943 0.86 HDAC6 (0.63) HDAC6HDAC1HDAC10HDAC8HDAC3
SCHEMBL28605415 0.86 HDAC6 (0.59) HDAC6HDAC1HDAC10HDAC8HDAC3
SCHEMBL28617824 0.84 HDAC6 (0.58) HDAC6HDAC1HDAC10HDAC8HDAC3
SCHEMBL28609564 0.83 HDAC6 (0.57) HDAC6HDAC1HDAC10HDAC8HDAC3
SCHEMBL28919764 0.82 HDAC6 (0.55) HDAC6HDAC1HDAC10HDAC8HDAC3
SCHEMBL28810878 0.81 HDAC6 (0.63) HDAC6HDAC1HDAC10HDAC8HDAC3
SCHEMBL28609734 0.81 HDAC6 (0.64) HDAC6HDAC1HDAC10HDAC8HDAC3
SCHEMBL28605203 0.80 HDAC6 (0.53) HDAC6HDAC1HDAC10HDAC8HDAC3

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-113121527-B Tricyclic compounds and uses thereof 上海辉启生物医药科技有限公司 2024-09-06 — — CN disclosed
CN-113121527-A Tricyclic compound and use thereof 上海辉启生物医药科技有限公司 2021-07-16 — — CN disclosed
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