SCHEMBL26050587

SCHEMBL26050587

CN1CCc2cc(C(=O)NO)cnc2C1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 19/20 0.44
HDAC8 Q9BY41 3/20 0.43
HDAC1 Q13547 2/20 0.41
HDAC3 O15379 1/20 0.41
WNT1 P04628 1/20 0.39
GSK3B P49841 1/20 0.39
DYRK1A Q13627 1/20 0.39
HDAC11 Q96DB2 1/20 0.38

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
SCHEMBL26053755 0.89 HDAC6 (0.48) HDAC6HDAC8HDAC1HDAC3WNT1
SCHEMBL26051086 0.84 HDAC6 (0.50) HDAC6HDAC8HDAC1HDAC3
SCHEMBL10224031 0.84 HDAC6 (0.47) HDAC6HDAC8HDAC1HDAC3HDAC11
SCHEMBL30620407 0.83 NNMT (0.46)
SCHEMBL10224291 0.83 HDAC6 (0.46) HDAC6HDAC8HDAC1HDAC3
SCHEMBL26051120 0.83 HDAC6 (0.41) HDAC6HDAC8HDAC1HDAC3HDAC11
SCHEMBL10224246 0.82 HDAC6 (0.43) HDAC6HDAC8HDAC1HDAC3HDAC11
SCHEMBL722257 0.81 HDAC6 (0.43) HDAC6HDAC8HDAC1HDAC3
SCHEMBL26062657 0.80 HDAC6 (0.52) HDAC6HDAC1HDAC3
SCHEMBL26051096 0.80 HDAC6 (0.49) HDAC6HDAC8HDAC1HDAC3

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