SCHEMBL24968633

SCHEMBL24968633

Cc1cnc(NC2(c3cccc(C(F)(F)F)c3)CC2)nc1

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 15/20 0.67
HDAC3 O15379 11/20 0.67
HDAC1 Q13547 11/20 0.67
HDAC2 Q92769 11/20 0.67
VNN1 O95497 3/20 0.60
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43

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
SCHEMBL28247610 0.95 HDAC6 (0.61) HDAC6HDAC3HDAC1HDAC2VNN1
SCHEMBL28247594 0.86 HDAC6 (0.66) HDAC6HDAC3HDAC1HDAC2VNN1
SCHEMBL24968122 0.83 HDAC6 (0.64) HDAC6HDAC3HDAC1HDAC2VNN1
SCHEMBL18742701 0.82 HDAC6 (0.70) HDAC6HDAC3HDAC1HDAC2VNN1
SCHEMBL28248169 0.81 HDAC6 (0.60) HDAC6HDAC3HDAC1HDAC2VNN1
SCHEMBL4729657 0.81 HDAC3 (1.00) HDAC6HDAC3HDAC1HDAC2VNN1
SCHEMBL18742382 0.80 HDAC6 (0.82) HDAC6HDAC3HDAC1HDAC2VNN1
SCHEMBL19710840 0.78 VNN1 (0.61) HDAC6HDAC3HDAC1HDAC2VNN1
SCHEMBL18769435 0.78 HDAC6 (0.57) HDAC6HDAC3HDAC1HDAC2VNN1
SCHEMBL22804912 0.78 HDAC6 (0.60) HDAC6HDAC3HDAC1HDAC2VNN1

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