SCHEMBL24254418

SCHEMBL24254418

O=Cc1ccc(-c2noc(C(F)(F)F)n2)cc1Br

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 17/20 0.48
HDAC6 Q9UBN7 12/20 0.48
HDAC1 Q13547 2/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC5 Q9UQL6 1/20 0.44

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
SCHEMBL29395911 1.00 HDAC4 (0.48) HDAC4HDAC6HDAC1HDAC8HDAC5
SCHEMBL19014974 0.86 HDAC6 (0.52) HDAC4HDAC6HDAC1HDAC8HDAC5
SCHEMBL30777475 0.86 HDAC6 (0.52) HDAC4HDAC6HDAC1HDAC8HDAC5
SCHEMBL22609172 0.82 HDAC4 (0.47) HDAC4HDAC6HDAC1HDAC8HDAC5
SCHEMBL24254417 0.80 HDAC6 (0.50) HDAC4HDAC6HDAC1HDAC8HDAC5
SCHEMBL19030812 0.78 HDAC4 (0.57) HDAC4HDAC6HDAC1HDAC8
SCHEMBL18824381 0.77 HDAC4 (0.66) HDAC4HDAC6HDAC1HDAC8
SCHEMBL19745563 0.76 HDAC6 (0.51) HDAC4HDAC6HDAC1HDAC8HDAC5
SCHEMBL2228278 0.76 HDAC6 (0.53) HDAC4HDAC6HDAC1HDAC8HDAC5
SCHEMBL5641740 0.76 HDAC4 (0.57) HDAC4HDAC6HDAC1HDAC8

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022035763-A1 BORON CONTAINING COMPOUNDS AND THEIR USES 5METIS, INC. (US) 2022-02-17 WO disclosed
WO-2022035763-A1 BORON CONTAINING COMPOUNDS AND THEIR USES 5METIS, INC. (US) 2022-02-17 WO disclosed