SCHEMBL30285347

SCHEMBL30285347

CCNNC(=O)c1ccc(CN2c3ccccc3Sc3ccccc32)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 20/20 1.00
HDAC3 O15379 17/20 1.00
HDAC1 Q13547 14/20 0.78
HDAC2 Q92769 9/20 0.70
HDAC4 P56524 6/20 0.70
HDAC7 Q8WUI4 6/20 0.70
HDAC10 Q969S8 6/20 0.70
HDAC11 Q96DB2 6/20 0.70
HDAC8 Q9BY41 6/20 0.70
HDAC9 Q9UKV0 6/20 0.70
HDAC5 Q9UQL6 6/20 0.70

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
SCHEMBL28966144 0.88 HDAC6 (1.00) HDAC6HDAC3HDAC1HDAC2HDAC4
SCHEMBL30285235 0.84 HDAC6 (1.00) HDAC6HDAC3HDAC1HDAC2HDAC4
SCHEMBL22855795 0.83 HDAC6 (1.00) HDAC6HDAC3HDAC1HDAC2HDAC4
SCHEMBL30285278 0.82 HDAC6 (1.00) HDAC6HDAC3HDAC1HDAC2HDAC4
SCHEMBL28966145 0.82 HDAC6 (1.00) HDAC6HDAC3HDAC1HDAC2HDAC4
SCHEMBL30285233 0.82 HDAC6 (1.00) HDAC6HDAC3HDAC1HDAC2HDAC4
SCHEMBL21449136 0.79 HDAC6 (0.69) HDAC6HDAC3HDAC1HDAC2HDAC4
SCHEMBL30285283 0.76 HDAC6 (1.00) HDAC6HDAC3HDAC1HDAC2
SCHEMBL28966148 0.76 HDAC6 (0.81) HDAC6HDAC3HDAC1HDAC2HDAC4
SCHEMBL12892562 0.76 HDAC6 (0.66) HDAC6HDAC3HDAC1HDAC2HDAC4

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-115784986-A HDAC6 inhibitor and preparation method and application thereof 中国海洋大学 2023-03-14 CN disclosed