SCHEMBL24968663

SCHEMBL24968663

Cc1cnc(NC2(c3cccc(Br)c3)CCC2)nc1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 18/20 0.53
HDAC1 Q13547 18/20 0.53
HDAC2 Q92769 18/20 0.53
HDAC6 Q9UBN7 18/20 0.53
VNN1 O95497 2/20 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
SCHEMBL28865440 0.86 HDAC6 (0.46) HDAC3HDAC1HDAC2HDAC6VNN1
SCHEMBL24967738 0.83 HDAC6 (0.52) HDAC3HDAC1HDAC2HDAC6VNN1
SCHEMBL24968632 0.83 HDAC6 (0.62) HDAC3HDAC1HDAC2HDAC6VNN1
SCHEMBL18742445 0.81 HDAC3 (0.53) HDAC3HDAC1HDAC2HDAC6VNN1
SCHEMBL28247610 0.81 HDAC6 (0.61) HDAC3HDAC1HDAC2HDAC6VNN1
SCHEMBL19710705 0.80 HDAC6 (0.67) HDAC3HDAC1HDAC2HDAC6
SCHEMBL24967744 0.78 VNN1 (0.56) HDAC3HDAC1HDAC2HDAC6VNN1
SCHEMBL19710840 0.76 VNN1 (0.61) HDAC3HDAC1HDAC2HDAC6VNN1
SCHEMBL24968732 0.76 HTR2C (0.48) HDAC3HDAC1HDAC2HDAC6VNN1
SCHEMBL24968633 0.75 HDAC6 (0.67) 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
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