SCHEMBL16646754

SCHEMBL16646754

C=C(C)N(c1ccccc1)c1ncc(C(=O)NCCCCCCC(=O)NO)cn1

nearest known ligand 0.76

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 20/20 0.76
HDAC3 O15379 4/20 0.75
HDAC1 Q13547 4/20 0.75
HDAC7 Q8WUI4 4/20 0.75
HDAC2 Q92769 4/20 0.75
HDAC8 Q9BY41 4/20 0.75
HDAC4 P56524 3/20 0.75
HDAC10 Q969S8 3/20 0.75
HDAC5 Q9UQL6 3/20 0.75
NCOR2 Q9Y618 1/20 0.75
HDAC11 Q96DB2 2/20 0.58
HDAC9 Q9UKV0 2/20 0.58

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
SCHEMBL16644092 0.90 HDAC6 (0.73) HDAC6HDAC3HDAC1HDAC7HDAC2
SCHEMBL19710836 0.87 HDAC6 (0.69) HDAC6HDAC3HDAC1HDAC7HDAC2
SCHEMBL19710750 0.87 HDAC6 (0.66) HDAC6HDAC3HDAC1HDAC7HDAC2
SCHEMBL2225248 0.86 HDAC6 (1.00) HDAC6HDAC3HDAC1HDAC7HDAC2
Ricolinostat SCHEMBL574580 0.86 HDAC6 (1.00) HDAC6HDAC3HDAC1HDAC7HDAC2
SCHEMBL21707466 0.85 HDAC6 (0.98) HDAC6HDAC3HDAC1HDAC7HDAC2
SCHEMBL21574250 0.84 HDAC6 (0.67) HDAC6HDAC3HDAC1HDAC7HDAC2
SCHEMBL18542603 0.83 HDAC6 (0.64) HDAC6HDAC3HDAC1HDAC7HDAC2
SCHEMBL16646755 0.83 HDAC6 (0.76) HDAC6HDAC3HDAC1HDAC7HDAC2
SCHEMBL2226158 0.82 HDAC6 (1.00) HDAC6HDAC3HDAC1HDAC7HDAC2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017184774-A1 HDAC INHIBITORS, ALONE OR IN COMBINATION WITH BTK INHIBITORS, FOR TREATING CHRONIC LYMPHOCYTIC LEUKEMIA ACETYLON PHARMACEUTICALS, INC. (US) 2017-10-26 WO disclosed
WO-2017075192-A1 HDAC INHIBITORS FOR THE TREATMENT OF DIABETIC PERIPHERAL NEUROPATHY ACETYLON PHARMACEUTICALS, INC. (US) 2017-05-04 WO disclosed
WO-2016200930-A9 METHODS OF MAKING PROTEIN DEACETYLASE INHIBITORS ACETYLON PHARMACEUTICALS, INC. (US) 2017-02-23 WO disclosed
WO-2015054197-A1 HDAC INHIBITORS, ALONE OR IN COMBINATION WITH BTK INHIBITORS, FOR TREATING NON-HODGKIN'S LYMPHOMA ACETYLON PHARMACEUTICALS, INC. (US) 2015-04-16 WO disclosed