SCHEMBL808348

SCHEMBL808348

C=C(/N=C(N)\N=C(/N)c1noc(-c2ccc(OCC(F)(F)F)nc2)n1)Nc1ccc(F)c(F)c1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.37
POLB P06746 1/20 0.36
MAPK1 P28482 1/20 0.36
TRPV3 Q8NET8 2/20 0.35
NPSR1 Q6W5P4 1/20 0.34
CACNA1G O43497 1/20 0.33
CACNA1H O95180 1/20 0.33
CACNA1I Q9P0X4 1/20 0.33
GABRA5 P31644 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
ALDH1A1 P00352 1/20 0.33
RECQL P46063 1/20 0.33
BACE1 P56817 5/20 0.32
BACE2 Q9Y5Z0 3/20 0.32
RET P07949 1/20 0.32
PTGES O14684 1/20 0.32
DGAT1 O75907 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
SCHEMBL10287123 0.85 POLB (0.41) MAPTPOLBMAPK1GABRA5ALDH1A1
SCHEMBL807788 0.81 EPHX2 (0.35) POLBMAPK1NPSR1GABRA5DGAT1
SCHEMBL808346 0.79 POLB (0.33) MAPTPOLBMAPK1TRPV3NPSR1
SCHEMBL808036 0.77 POLB (0.34) MAPTPOLBMAPK1TRPV3NPSR1
SCHEMBL808244 0.77 HDAC6 (0.34)
SCHEMBL15477413 0.71 BACE2 (0.39) TRPV3NPSR1GABRA5BACE1BACE2
SCHEMBL10287127 0.71 HDAC8 (0.33)
SCHEMBL808332 0.69 GABRA5 (0.34) POLBMAPK1NPSR1GABRA5
SCHEMBL10287296 0.67 ATR (0.42) MAPTPOLBMAPK1ALDH1A1
SCHEMBL10287533 0.66 ADRA2A (0.33) ALDH1A1

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