SCHEMBL24967744

SCHEMBL24967744

Cc1cnc(NC2(c3cccnc3)CCC2)nc1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 7/20 0.56
HDAC6 Q9UBN7 13/20 0.50
HDAC3 O15379 12/20 0.47
HDAC1 Q13547 12/20 0.47
HDAC2 Q92769 12/20 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
SCHEMBL28248171 0.88 VNN1 (0.58) VNN1HDAC6HDAC3HDAC1HDAC2
SCHEMBL24968632 0.85 HDAC6 (0.62) VNN1HDAC6HDAC3HDAC1HDAC2
SCHEMBL18742570 0.80 VNN1 (0.59) VNN1HDAC6HDAC3HDAC1HDAC2
SCHEMBL19710840 0.79 VNN1 (0.61) VNN1HDAC6HDAC3HDAC1HDAC2
SCHEMBL18742418 0.78 VNN1 (0.64) VNN1HDAC6HDAC3HDAC1HDAC2
SCHEMBL24968663 0.78 HDAC3 (0.53) VNN1HDAC6HDAC3HDAC1HDAC2
SCHEMBL24967738 0.77 HDAC6 (0.52) VNN1HDAC6HDAC3HDAC1HDAC2
SCHEMBL28247610 0.75 HDAC6 (0.61) VNN1HDAC6HDAC3HDAC1HDAC2
SCHEMBL28248252 0.74 HDAC6 (0.52) VNN1HDAC6HDAC3HDAC1HDAC2
SCHEMBL19710705 0.74 HDAC6 (0.67) 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
EP-3362445-B1 OXADIAZOLE AMINE DERIVATIVE COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND THE PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP (KR) 2023-01-25 EP disclosed