SCHEMBL20197383

SCHEMBL20197383

C[S+]([O-])c1ccc(CN2Cc3ccc(-c4noc(C(F)(F)F)n4)cc3C2=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 19/20 0.48
HDAC1 Q13547 9/20 0.48
HDAC8 Q9BY41 7/20 0.47
HDAC4 P56524 7/20 0.42
HDAC2 Q92769 1/20 0.39

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
SCHEMBL20184063 0.86 HDAC6 (0.49) HDAC6HDAC1HDAC8HDAC4
SCHEMBL20184007 0.86 HDAC6 (0.53) HDAC6HDAC1HDAC8HDAC4HDAC2
SCHEMBL20184026 0.84 HDAC6 (0.52) HDAC6HDAC1HDAC8HDAC4
SCHEMBL20183984 0.81 HDAC6 (0.52) HDAC6HDAC1HDAC8
SCHEMBL20184091 0.80 HDAC6 (0.50) HDAC6HDAC1HDAC8HDAC4
SCHEMBL20184000 0.80 HDAC6 (0.51) HDAC6HDAC1HDAC8
SCHEMBL21179859 0.79 HDAC6 (0.51) HDAC6HDAC1HDAC8HDAC4HDAC2
SCHEMBL20184038 0.79 HDAC6 (0.49) HDAC6HDAC1HDAC8HDAC4
SCHEMBL20184036 0.79 HDAC6 (0.47) HDAC6HDAC1HDAC8HDAC4
SCHEMBL20184023 0.79 HDAC6 (0.49) HDAC6HDAC1HDAC8HDAC4

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-3327019-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2018-05-30 EP disclosed