SCHEMBL29309798

SCHEMBL29309798

CC1(CNCc2c(F)cc(C(=O)NO)cc2F)CC2C[C@@H](CC3CC32)C1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 19/20 0.64
HDAC8 Q9BY41 4/20 0.39
HDAC4 P56524 3/20 0.39
HDAC7 Q8WUI4 3/20 0.39
HDAC11 Q96DB2 3/20 0.39
HDAC9 Q9UKV0 3/20 0.39
HDAC5 Q9UQL6 3/20 0.39
HDAC1 Q13547 5/20 0.36
HDAC3 O15379 2/20 0.34
HDAC2 Q92769 2/20 0.34
HDAC10 Q969S8 1/20 0.34
SCN9A Q15858 1/20 0.33

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
SCHEMBL20535302 0.79 HDAC6 (1.00) HDAC6HDAC8HDAC4HDAC7HDAC11
SCHEMBL24401416 0.72 HDAC6 (0.69) HDAC6HDAC8HDAC4HDAC7HDAC11
SCHEMBL20535298 0.66 HDAC6 (0.72) HDAC6HDAC8HDAC4HDAC7HDAC11
SCHEMBL29309846 0.66 HDAC6 (0.60) HDAC6HDAC8HDAC1HDAC3HDAC2
SCHEMBL20534929 0.65 HDAC6 (1.00) HDAC6HDAC8HDAC4HDAC7HDAC11
SCHEMBL30096073 0.65 HDAC6 (0.72) HDAC6HDAC8HDAC4HDAC7HDAC11
SCHEMBL24401364 0.61 HDAC6 (0.53) HDAC6HDAC8HDAC4HDAC7HDAC11
SCHEMBL29309855 0.60 HDAC6 (0.62) HDAC6HDAC8HDAC4HDAC7HDAC11
SCHEMBL29309837 0.60 HDAC6 (0.47) HDAC6HDAC8HDAC4HDAC7HDAC11
SCHEMBL24401272 0.58 HDAC6 (0.45) HDAC6HDAC8HDAC4HDAC7HDAC11

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
EP-4397656-A2 HDAC6 INHIBITORS AND IMAGING AGENTS The General Hospital Corporation (US) 2024-07-10 EP disclosed