SCHEMBL29784635

SCHEMBL29784635

CC[C@@H]1Cc2c(F)cc(C(=O)NO)cc2CN1CC12CC(C1)N(C)C2

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 13/20 0.41
HDAC4 P56524 3/20 0.37
HDAC7 Q8WUI4 3/20 0.37
HDAC11 Q96DB2 3/20 0.37
HDAC8 Q9BY41 3/20 0.37
HDAC9 Q9UKV0 3/20 0.37
HDAC5 Q9UQL6 2/20 0.37
HDAC1 Q13547 4/20 0.34
HDAC3 O15379 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC10 Q969S8 1/20 0.30
PTPN2 P17706 1/20 0.30

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
SCHEMBL27229843 1.00 HDAC6 (0.41) HDAC6HDAC4HDAC7HDAC11HDAC8
SCHEMBL27229961 1.00 HDAC6 (0.41) HDAC6HDAC4HDAC7HDAC11HDAC8
SCHEMBL29784644 1.00 HDAC6 (0.41) HDAC6HDAC4HDAC7HDAC11HDAC8
SCHEMBL27229778 0.90 PTPN2 (0.31) HDAC6PTPN2
SCHEMBL29784719 0.90 HDAC6 (0.31) HDAC6
SCHEMBL27229820 0.85 HDAC6 (0.39) HDAC6HDAC4HDAC7HDAC11HDAC8
SCHEMBL27229744 0.85 HDAC6 (0.39) HDAC6HDAC4HDAC7HDAC11HDAC8
SCHEMBL29784683 0.85 HDAC6 (0.39) HDAC6HDAC4HDAC7HDAC11HDAC8
SCHEMBL29784636 0.85 HDAC6 (0.39) HDAC6HDAC4HDAC7HDAC11HDAC8
SCHEMBL26055712 0.82 HDAC6 (0.32) HDAC6HDAC4HDAC7HDAC11HDAC8

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-2022169985-A1 HDAC6 INHIBITORS AND USES THEREOF EIKONIZO THERAPEUTICS, INC. (US) 2022-08-11 WO disclosed