SCHEMBL28881900

SCHEMBL28881900

O=[N+]([O-])OC(CP(c1ccccc1)c1ccccc1)c1cccc(Br)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.47
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38
PTGS1 P23219 3/20 0.37
PTGS2 P35354 3/20 0.37
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A9 P48067 2/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ALDH1A1 P00352 2/20 0.31
MAPT P10636 1/20 0.31
SLC18A3 Q16572 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
MGAM O43451 1/20 0.30
GAA P10253 1/20 0.30
SI P14410 1/20 0.30
MGAM2 Q2M2H8 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
SCHEMBL28347506 0.77 GSR (0.47) GSRSLC6A2SLC6A4SLC6A9MEN1
SCHEMBL28347265 0.76 GSR (0.46) GSRIDO1TDO2PTGS1PTGS2
SCHEMBL28047729 0.66 GSR (0.71) GSRPTGS1PTGS2MEN1KMT2A
SCHEMBL28347266 0.66 GSR (0.56) GSRPTGS1PTGS2MEN1KMT2A
SCHEMBL28347252 0.66 GSR (0.56) GSRPTGS1PTGS2MEN1LMNA
SCHEMBL28215784 0.65 GSR (0.69) GSRPTGS1PTGS2MEN1LMNA
SCHEMBL27319378 0.65 GSR (0.69) GSRPTGS1PTGS2SLC6A4MEN1
SCHEMBL9803273 0.64 GSR (0.67) GSRPTGS1PTGS2LMNAKMT2A
SCHEMBL28180761 0.63 KMT2A (0.44) MEN1LMNAKMT2AALDH1A1MAPT
SCHEMBL28180764 0.63 KMT2A (0.44) MEN1LMNAKMT2AALDH1A1MAPT

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
CN-107973819-B beta-phosphorylated nitrate compound and preparation method thereof 烟台大学 2019-12-17 CN disclosed