SCHEMBL24254417

SCHEMBL24254417

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

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 12/20 0.50
HDAC4 P56524 11/20 0.50
S1PR1 P21453 4/20 0.49
HDAC1 Q13547 6/20 0.48
HDAC5 Q9UQL6 3/20 0.48
HDAC8 Q9BY41 3/20 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
SCHEMBL20528695 0.84 HDAC4 (0.57) HDAC6HDAC4HDAC1HDAC5HDAC8
SCHEMBL19864362 0.82 HDAC4 (0.50) HDAC6HDAC4S1PR1HDAC1HDAC5
SCHEMBL2888002 0.82 HDAC4 (0.50) HDAC6HDAC4S1PR1HDAC1HDAC8
Hydrochloric Acid SCHEMBL19859065 0.81 HDAC4 (0.49) HDAC6HDAC4S1PR1HDAC1HDAC5
SCHEMBL24254418 0.80 HDAC4 (0.48) HDAC6HDAC4HDAC1HDAC5HDAC8
SCHEMBL29395911 0.80 HDAC4 (0.48) HDAC6HDAC4HDAC1HDAC5HDAC8
SCHEMBL12267055 0.80 L3MBTL1 (0.61) S1PR1
SCHEMBL19042602 0.79 HDAC4 (0.53) HDAC6HDAC4HDAC8
SCHEMBL28679007 0.79 HDAC6 (0.40) HDAC6HDAC4HDAC1HDAC5HDAC8
SCHEMBL18824381 0.79 HDAC4 (0.66) HDAC6HDAC4HDAC1HDAC8

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