SCHEMBL30285233

SCHEMBL30285233

CCNNC(=O)c1ccc(CN2c3ccccc3Cc3ccccc32)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 19/20 1.00
HDAC3 O15379 17/20 1.00
HDAC1 Q13547 11/20 1.00
HDAC2 Q92769 7/20 0.61
HDAC8 Q9BY41 2/20 0.48
HDAC4 P56524 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47

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
SCHEMBL28966145 1.00 HDAC6 (1.00) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL30285236 0.84 HDAC6 (0.74) HDAC6HDAC3HDAC1HDAC2HDAC4
SCHEMBL30285235 0.84 HDAC6 (1.00) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL30285347 0.82 HDAC6 (1.00) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL30285278 0.82 HDAC6 (1.00) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL17425270 0.80 HDAC6 (0.76) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL30285283 0.76 HDAC6 (1.00) HDAC6HDAC3HDAC1HDAC2
SCHEMBL1365734 0.76 HDAC6 (0.70) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL28966142 0.73 HDAC6 (1.00) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL29116672 0.72 LMNA (0.57) HDAC6HDAC3HDAC1

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