SCHEMBL807959

SCHEMBL807959

C=C(/N=C(N)\N=C(N)\C(N)=N\OC(=C)c1cccnc1OCC(F)(F)F)Nc1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.33
KMT2A Q03164 2/20 0.33
PRKCI P41743 1/20 0.33
MEN1 O00255 1/20 0.33
S1PR2 O95136 1/20 0.33
S1PR4 O95977 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
XBP1 P17861 1/20 0.33
HTT P42858 1/20 0.33
PAX8 Q06710 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
S1PR3 Q99500 1/20 0.33
S1PR5 Q9H228 1/20 0.33
P2RY1 P47900 1/20 0.32
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
HCRTR1 O43613 3/20 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
SCHEMBL29686939 0.67 RAB9A (0.51) HCRTR1HCRTR2
SCHEMBL4263055 0.67 RAB9A (0.51) HCRTR1HCRTR2
SCHEMBL456915 0.64 NAPRT (0.50) NPSR1KMT2AMEN1LMNAMAPT
SCHEMBL30919007 0.64 NAPRT (0.50) NPSR1KMT2AMEN1LMNAMAPT
SCHEMBL28314178 0.62 HCRTR2 (0.49) LMNAHCRTR1HCRTR2POLB
SCHEMBL808041 0.61 TRPV1 (0.39) GAAADRA2AADRA2BADRA2C
SCHEMBL13622605 0.61 HCRTR1 (0.37) KMT2AMEN1LMNAHCRTR1HCRTR2
SCHEMBL22235655 0.61 TDP1 (0.57) KMT2AMEN1LMNAMAPTHTT
SCHEMBL367912 0.60 L3MBTL1 (0.41) HCRTR1HCRTR2
SCHEMBL17859342 0.60 HCRTR2 (0.51) LMNAHCRTR1HCRTR2POLB

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