SCHEMBL24968632

SCHEMBL24968632

Cc1cnc(NC2(c3ccccc3)CCC2)nc1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 15/20 0.62
HDAC3 O15379 13/20 0.62
HDAC1 Q13547 13/20 0.62
HDAC2 Q92769 13/20 0.62
VNN1 O95497 3/20 0.55
HDAC4 P56524 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48

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
SCHEMBL19710840 0.93 VNN1 (0.61) HDAC6HDAC3HDAC1HDAC2VNN1
SCHEMBL24967744 0.85 VNN1 (0.56) HDAC6HDAC3HDAC1HDAC2VNN1
SCHEMBL24967738 0.84 HDAC6 (0.52) HDAC6HDAC3HDAC1HDAC2VNN1
SCHEMBL28247582 0.83 HDAC6 (0.60) HDAC6HDAC3HDAC1HDAC2VNN1
SCHEMBL24968663 0.83 HDAC3 (0.53) HDAC6HDAC3HDAC1HDAC2VNN1
SCHEMBL28247610 0.80 HDAC6 (0.61) HDAC6HDAC3HDAC1HDAC2VNN1
SCHEMBL28248162 0.80 HDAC6 (0.60) HDAC6HDAC3HDAC1HDAC2VNN1
SCHEMBL28248252 0.79 HDAC6 (0.52) HDAC6HDAC3HDAC1HDAC2VNN1
SCHEMBL19710705 0.79 HDAC6 (0.67) HDAC6HDAC3HDAC1HDAC2
SCHEMBL24968639 0.78 HDAC6 (0.59) 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