SCHEMBL26056261

SCHEMBL26056261

CN1CC2(CN3CCc4ncc(C(=O)NO)cc4C3)CC1C2

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 17/20 0.39
HDAC1 Q13547 6/20 0.33
HDAC2 Q92769 5/20 0.33
HDAC3 O15379 4/20 0.33
HDAC8 Q9BY41 3/20 0.33
HDAC4 P56524 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
ABCB1 P08183 2/20 0.33
ABCG2 Q9UNQ0 2/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2C8 P10632 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
ABCC1 P33527 1/20 0.32

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
SCHEMBL26051970 0.93 HDAC6 (0.36) HDAC6HDAC1HDAC2HDAC3HDAC8
SCHEMBL26056263 0.89 HDAC6 (0.38) HDAC6HDAC1HDAC2HDAC3HDAC8
SCHEMBL26056262 0.88 HDAC6 (0.38) HDAC6HDAC1HDAC2HDAC3HDAC8
SCHEMBL26063068 0.86 HDAC6 (0.35) HDAC6HDAC1HDAC2HDAC3HDAC8
SCHEMBL26055254 0.84 HDAC6 (0.45) HDAC6HDAC1HDAC2HDAC3HDAC8
SCHEMBL26056274 0.84 HDAC6 (0.36) HDAC6HDAC1HDAC2HDAC3HDAC8
SCHEMBL26061353 0.84 HDAC6 (0.36) HDAC6HDAC1HDAC2HDAC3HDAC8
SCHEMBL26052031 0.82 HDAC6 (0.35) HDAC6HDAC1HDAC2HDAC3HDAC8
SCHEMBL26063067 0.81 HDAC6 (0.40) HDAC6HDAC1HDAC2HDAC3HDAC8
SCHEMBL26051972 0.81 HDAC6 (0.37) HDAC6HDAC1HDAC2HDAC3HDAC8

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
WO-2023150203-A1 HDAC6 INHIBITORS AND USES THEREOF EIKONIZO THERAPEUTICS, INC. (US) 2023-08-10 WO disclosed