SCHEMBL807788

SCHEMBL807788

C=C(/N=C(N)\N=C(/N)c1noc(-c2ccc(OCCC(F)(F)F)nc2)n1)Nc1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.35
SCN9A Q15858 4/20 0.33
POLB P06746 1/20 0.33
MAPK1 P28482 1/20 0.33
GABRA5 P31644 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KCNH2 Q12809 3/20 0.32
SCN5A Q14524 3/20 0.32
DGAT1 O75907 1/20 0.32
SOAT2 O75908 1/20 0.32
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
SCHEMBL808332 0.85 GABRA5 (0.34) EPHX2SCN9APOLBMAPK1GABRA5
SCHEMBL808244 0.83 HDAC6 (0.34) SCN9AKCNH2SCN5A
SCHEMBL10287123 0.80 POLB (0.41) SCN9APOLBMAPK1GABRA5DGAT1
SCHEMBL10287127 0.79 HDAC8 (0.33)
SCHEMBL808249 0.75 HDAC4 (0.30)
SCHEMBL10287296 0.74 ATR (0.42) POLBMAPK1ALOX5AP
SCHEMBL808041 0.73 TRPV1 (0.39)
SCHEMBL808017 0.73
SCHEMBL10287533 0.72 ADRA2A (0.33)
SCHEMBL808036 0.71 POLB (0.34) EPHX2SCN9APOLBMAPK1GABRA5

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