SCHEMBL28113932

SCHEMBL28113932

O=COc1cc([N+](=O)[O-])ccc1C(=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
LMNA P02545 4/20 0.50
POLB P06746 3/20 0.50
HTT P42858 3/20 0.50
CES2 O00748 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
ALDH1A1 P00352 5/20 0.47
GAA P10253 2/20 0.47
MAPK1 P28482 3/20 0.46
CES1 P23141 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
FNTA P49354 1/20 0.44
FNTB P49356 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TP53 P04637 1/20 0.44
CYP19A1 P11511 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ALOX5 P09917 1/20 0.43

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
SCHEMBL28147378 0.83 CES2 (0.52) MAPTLMNAPOLBHTTCES2
SCHEMBL27615205 0.83 HTT (0.56) MAPTLMNAPOLBHTTCES2
SCHEMBL28487709 0.82 CES2 (0.55) MAPTLMNAPOLBHTTCES2
SCHEMBL28174395 0.79 CYP19A1 (0.60) MAPTLMNAPOLBALDH1A1MAPK1
SCHEMBL11010668 0.77 LMNA (0.60) MAPTLMNAPOLBHTTCES2
SCHEMBL27497022 0.77 GAA (0.60) MAPTLMNAPOLBHTTCES2
SCHEMBL11230405 0.77 CES2 (0.75) MAPTLMNAPOLBHTTCES2
SCHEMBL5313439 0.77 MAPT (0.60) MAPTLMNAPOLBHTTCES2
SCHEMBL29355334 0.77 CES2 (0.75) MAPTLMNAPOLBHTTCES2
Oxalic Acid SCHEMBL28296547 0.77 ERN1 (0.51) MAPTLMNAPOLBHTTCES2

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-106087549-A A kind of luminescent paper, its manufacture method and the method drawing shining color Color Pattern 湖北工程学院 2016-11-09 CN disclosed