SCHEMBL16690246

SCHEMBL16690246

CC(=O)O/N=C(\c1ccccc1)c1ccc(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.45
ALDH1A1 P00352 5/20 0.44
MAPT P10636 4/20 0.44
KMT2A Q03164 4/20 0.42
LMNA P02545 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
POLB P06746 2/20 0.41
MAPK1 P28482 1/20 0.41
PTGS2 P35354 2/20 0.41
CES1 P23141 1/20 0.41
MEN1 O00255 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
RAB9A P51151 2/20 0.40
TTR P02766 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
NPC1 O15118 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL16690144 0.88 CES2 (0.48) CES2ALDH1A1MAPTKMT2ALMNA
SCHEMBL16690245 0.87 ALDH1A1 (0.51) CES2ALDH1A1MAPTKMT2ALMNA
SCHEMBL16690171 0.86 TTR (0.40) CES2ALDH1A1MAPTKMT2ALMNA
SCHEMBL16690239 0.86 MAPK1 (0.56) CES2ALDH1A1MAPTKMT2ALMNA
SCHEMBL16690222 0.85 CES2 (0.42) CES2ALDH1A1MAPTKMT2ALMNA
SCHEMBL16690265 0.83 CES2 (0.49) CES2ALDH1A1MAPTKMT2APOLB
SCHEMBL22985750 0.81 ALDH1A1 (0.41) CES2ALDH1A1MAPTKMT2ALMNA
SCHEMBL27852524 0.79 MAPK1 (0.58) CES2ALDH1A1MAPTKMT2ALMNA
SCHEMBL16690198 0.78 CES2 (0.49) CES2ALDH1A1MAPTKMT2APOLB
SCHEMBL16690241 0.78 ALDH1A1 (0.44) ALDH1A1MAPTKMT2ALMNATDP1

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-2015064958-A1 NOVEL OXIME ESTER BIPHENYL COMPOUND, PHOTO INITIATOR AND PHOTOSENSITIVE RESIN COMPOSITION CONTAINING SAME 한국화학연구원 2015-05-07 WO disclosed