SCHEMBL28607205

SCHEMBL28607205

CCOC(=O)C=Cc1csc(Br)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 6/20 0.56
HDAC1 Q13547 6/20 0.56
HDAC2 Q92769 6/20 0.56
HDAC8 Q9BY41 6/20 0.56
HDAC6 Q9UBN7 6/20 0.56
HDAC4 P56524 5/20 0.56
HDAC7 Q8WUI4 5/20 0.56
HDAC10 Q969S8 5/20 0.56
HDAC11 Q96DB2 5/20 0.56
HDAC9 Q9UKV0 5/20 0.56
HDAC5 Q9UQL6 5/20 0.56
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
TTR P02766 1/20 0.42
DPP4 P27487 1/20 0.42
MAPT P10636 2/20 0.41

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
SCHEMBL16382705 1.00 HDAC3 (0.56) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL10412422 0.86 HDAC1 (0.47) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL9331716 0.86 HDAC1 (0.47) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL26246354 0.84 MAPT (0.52) HDAC1HDAC2CA12CA1CA2
SCHEMBL2577796 0.83 HDAC1 (0.66) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL2577800 0.83 HDAC1 (0.66) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL8852985 0.81 TTR (0.43) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL8852995 0.81 TTR (0.43) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL29860671 0.78 CA12 (0.44) CA12CA1CA2CA7CA9
SCHEMBL28656322 0.77 CA12 (0.39) HDAC3HDAC1HDAC2HDAC8HDAC6

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113164571-A Inhibition of ubiquitin-specific peptidase 9X 福马治疗股份有限公司 2021-07-23 CN disclosed