SCHEMBL808346

SCHEMBL808346

C=C(/N=C(N)\N=C(/N)c1noc(-c2ccc(OCC(F)(F)F)nc2)n1)N(C)c1ccc(F)cc1F

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.33
MAPK1 P28482 1/20 0.33
MAPT P10636 2/20 0.33
SCN9A Q15858 2/20 0.32
ALDH1A1 P00352 1/20 0.31
RECQL P46063 1/20 0.31
TRPV3 Q8NET8 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL808036 0.90 POLB (0.34) POLBMAPK1MAPTSCN9AALDH1A1
SCHEMBL808348 0.79 MAPT (0.37) POLBMAPK1MAPTALDH1A1RECQL
SCHEMBL808332 0.79 GABRA5 (0.34) POLBMAPK1SCN9ANPSR1
SCHEMBL10287198 0.74 HDAC6 (0.34) SCN9A
SCHEMBL10287123 0.74 POLB (0.41) POLBMAPK1MAPTSCN9AALDH1A1
SCHEMBL808161 0.73 HDAC4 (0.32)
SCHEMBL807937 0.73 GABRA5 (0.34)
SCHEMBL795199 0.71 HDAC1 (0.34) SCN9AALDH1A1RECQLTRPV3NPSR1
SCHEMBL808240 0.70 HDAC6 (0.35) ALDH1A1
SCHEMBL10286912 0.70 GABRA1 (0.36)

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