SCHEMBL16646752

SCHEMBL16646752

C=C(OCC)c1cnc(NC2(c3cccc(F)c3)CCCCC2)nc1

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 20/20 0.63
HDAC3 O15379 19/20 0.63
HDAC1 Q13547 19/20 0.63
HDAC2 Q92769 19/20 0.63

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
SCHEMBL16266642 0.88 HDAC3 (0.69) HDAC6HDAC3HDAC1HDAC2
SCHEMBL18742438 0.84 HDAC3 (0.66) HDAC6HDAC3HDAC1HDAC2
SCHEMBL19710705 0.81 HDAC6 (0.67) HDAC6HDAC3HDAC1HDAC2
SCHEMBL18769656 0.79 HDAC3 (0.55) HDAC6HDAC3HDAC1HDAC2
SCHEMBL28067236 0.79 HDAC3 (0.79) HDAC6HDAC3HDAC1HDAC2
SCHEMBL4729593 0.78 HDAC3 (1.00) HDAC6HDAC3HDAC1HDAC2
SCHEMBL29412232 0.78 HDAC3 (1.00) HDAC6HDAC3HDAC1HDAC2
SCHEMBL17025843 0.77 HDAC3 (0.67) HDAC6HDAC3HDAC1HDAC2
SCHEMBL19260835 0.77 HDAC6 (0.74) HDAC6HDAC3HDAC1HDAC2
SCHEMBL4729915 0.76 HDAC3 (1.00) HDAC6HDAC3HDAC1HDAC2

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-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