SCHEMBL17814776

SCHEMBL17814776

CC=C(N)c1cnc(NC2(c3cccc(C)c3)CCCCC2)nc1

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 15/20 0.60
HDAC1 Q13547 15/20 0.60
HDAC2 Q92769 15/20 0.60
HDAC6 Q9UBN7 15/20 0.60
VNN1 O95497 3/20 0.42

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
SCHEMBL18822437 0.82 HDAC3 (0.89) HDAC3HDAC1HDAC2HDAC6
SCHEMBL17814775 0.80 VNN1 (0.63) HDAC3HDAC1HDAC2HDAC6VNN1
SCHEMBL18742678 0.80 HDAC3 (0.73) HDAC3HDAC1HDAC2HDAC6VNN1
SCHEMBL18742506 0.76 HDAC3 (0.64) HDAC3HDAC1HDAC2HDAC6VNN1
SCHEMBL4729826 0.75 HDAC3 (1.00) HDAC3HDAC1HDAC2HDAC6
SCHEMBL19710705 0.73 HDAC6 (0.67) HDAC3HDAC1HDAC2HDAC6
SCHEMBL18742679 0.72 HDAC3 (0.66) HDAC3HDAC1HDAC2HDAC6VNN1
SCHEMBL18742613 0.72 HDAC3 (0.66) HDAC3HDAC1HDAC2HDAC6
SCHEMBL28067236 0.70 HDAC3 (0.79) HDAC3HDAC1HDAC2HDAC6VNN1
SCHEMBL24968663 0.69 HDAC3 (0.53) HDAC3HDAC1HDAC2HDAC6VNN1

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-2016087950-A1 COMBINATIONS OF HISTONE DEACETYLASE INHIBITORS AND BENDAMUSTINE FOR USE IN THE TREATMENT OF LYMPHOMA University of Modena and Reggio Emilia (IT) 2016-06-09 WO disclosed