SCHEMBL808332

SCHEMBL808332

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

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 1/20 0.34
EPHX2 P34913 3/20 0.33
POLB P06746 1/20 0.33
MAPK1 P28482 1/20 0.33
HDAC4 P56524 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
SCN9A Q15858 6/20 0.32
SCN5A Q14524 5/20 0.32
KCNH2 Q12809 4/20 0.32
ATR Q13535 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
NPSR1 Q6W5P4 1/20 0.30
ALOX5AP P20292 1/20 0.30

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
SCHEMBL807937 0.86 GABRA5 (0.34) GABRA5
SCHEMBL808036 0.85 POLB (0.34) GABRA5EPHX2POLBMAPK1SCN9A
SCHEMBL807788 0.85 EPHX2 (0.35) GABRA5EPHX2POLBMAPK1SCN9A
SCHEMBL10287198 0.84 HDAC6 (0.34) HDAC4HDAC8HDAC6SCN9ASCN5A
SCHEMBL808161 0.83 HDAC4 (0.32) HDAC4HDAC8HDAC6
SCHEMBL10286912 0.83 GABRA1 (0.36) GABRA5HDAC4HDAC8HDAC6
SCHEMBL808331 0.82 KCNH2 (0.32) GABRA5POLBSCN9AKCNH2
SCHEMBL807787 0.81 SCN9A (0.37) GABRA5HDAC6SCN9ASCN5A
SCHEMBL808240 0.80 HDAC6 (0.35) HDAC4HDAC8HDAC6
SCHEMBL808234 0.80 HDAC6 (0.34) HDAC4HDAC8HDAC6

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