SCHEMBL807787

SCHEMBL807787

C=C(/N=C(N)\N=C(/N)c1noc(-c2ccc(OC3CCOCC3)nc2)n1)N(C)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.37
SCN5A Q14524 1/20 0.35
SYK P43405 1/20 0.33
PIK3CA P42336 2/20 0.32
PIK3R1 P27986 1/20 0.32
GABRA5 P31644 1/20 0.32
HDAC6 Q9UBN7 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
SCHEMBL807936 0.94 KCNH2 (0.32) SCN9AGABRA5
SCHEMBL808331 0.93 KCNH2 (0.32) SCN9AGABRA5
SCHEMBL808238 0.89 TDO2 (0.36) PIK3CAHDAC6
SCHEMBL10287297 0.86 ACACB (0.36) GABRA5
SCHEMBL807937 0.82 GABRA5 (0.34) GABRA5
SCHEMBL808332 0.81 GABRA5 (0.34) SCN9ASCN5AGABRA5HDAC6
SCHEMBL10287197 0.81 CPT2 (0.33)
SCHEMBL10287152 0.79 HDAC6 (0.34) HDAC6
SCHEMBL808159 0.79 ACHE (0.31)
SCHEMBL808234 0.79 HDAC6 (0.34) HDAC6

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