SCHEMBL18324082

SCHEMBL18324082

CN(CCCCCC(=O)Nc1ccc(F)cc1NN=N)C(=O)c1ccc(F)cc1

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 4/20 0.71
HDAC1 Q13547 4/20 0.71
HDAC6 Q9UBN7 17/20 0.55
HDAC4 P56524 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 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
SCHEMBL1937892 0.83 HDAC1 (1.00) HDAC3HDAC1HDAC6HDAC4HDAC7
SCHEMBL2225861 0.71 HDAC6 (1.00) HDAC3HDAC1HDAC6HDAC4HDAC7
SCHEMBL6882831 0.69 HDAC6 (1.00) HDAC3HDAC1HDAC6HDAC4HDAC7
SCHEMBL2225154 0.68 HDAC6 (0.69) HDAC3HDAC1HDAC6HDAC4HDAC7
SCHEMBL2227746 0.67 HDAC6 (1.00) HDAC6
SCHEMBL2225157 0.67 HDAC6 (0.66) HDAC3HDAC1HDAC6HDAC4HDAC7
SCHEMBL6881257 0.67 HDAC6 (1.00) HDAC3HDAC1HDAC6HDAC4HDAC7
SCHEMBL19997023 0.66 HTR7 (0.54) HDAC3HDAC1HDAC6HDAC2
SCHEMBL15480431 0.66 POLB (0.66) HDAC3HDAC1HDAC6HDAC2
SCHEMBL18324086 0.66 HDAC3 (0.52) HDAC3HDAC1HDAC6HDAC4HDAC7

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-2330894-B1 COMPOSITIONS INCLUDING 6-AMINOHEXANOIC ACID DERIVATIVES AS HDAC INHIBITORS REPLIGEN CORP (US) 2016-12-21 EP disclosed