SCHEMBL808161

SCHEMBL808161

C=C(/N=C(N)\N=C(/N)c1noc(-c2ccc(C(C)OCC(F)(F)F)nc2)n1)N(C)c1ccccc1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32

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
SCHEMBL10287198 0.85 HDAC6 (0.34) HDAC4HDAC8HDAC6
SCHEMBL10287196 0.84 HDAC4 (0.37) HDAC4HDAC8HDAC6
SCHEMBL808332 0.83 GABRA5 (0.34) HDAC4HDAC8HDAC6
SCHEMBL808240 0.81 HDAC6 (0.35) HDAC4HDAC8HDAC6
SCHEMBL808036 0.80 POLB (0.34)
SCHEMBL10286912 0.79 GABRA1 (0.36) HDAC4HDAC8HDAC6
SCHEMBL808241 0.78 HDAC6 (0.33) HDAC4HDAC8HDAC6
SCHEMBL808234 0.77 HDAC6 (0.34) HDAC4HDAC8HDAC6
SCHEMBL807937 0.77 GABRA5 (0.34)
SCHEMBL808247 0.77 STAT3 (0.30)

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-2012035023-A1 TRIAZINE-OXADIAZOLES NOVARTIS AG (CH) 2012-03-22 WO disclosed