SCHEMBL16690255

SCHEMBL16690255

O=C(O/N=C(\C(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)C1CCCC1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
CES2 O00748 2/20 0.43
MAPT P10636 10/20 0.40
NPC1 O15118 5/20 0.40
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
POLB P06746 4/20 0.40
RAB9A P51151 4/20 0.40
HTT P42858 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
CES1 P23141 1/20 0.39
GAA P10253 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
PKM P14618 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL16690259 0.89 ALDH1A1 (0.42) ALDH1A1CES2MAPTNPC1MEN1
SCHEMBL16690258 0.88 CES2 (0.49) ALDH1A1CES2MAPTNPC1MEN1
SCHEMBL16690237 0.88 ALDH1A1 (0.53) ALDH1A1MAPTNPC1MEN1KMT2A
SCHEMBL16690210 0.88 ALDH1A1 (0.53) ALDH1A1MAPTNPC1MEN1KMT2A
SCHEMBL16690188 0.88 ALDH1A1 (0.41) ALDH1A1CES2MAPTMEN1KMT2A
SCHEMBL16690140 0.87 ALDH1A1 (0.42) ALDH1A1CES2MAPTMEN1KMT2A
SCHEMBL16690148 0.84 ALDH1A1 (0.43) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL16690162 0.84 ALDH1A1 (0.44) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL16690198 0.83 CES2 (0.49) ALDH1A1CES2MAPTNPC1MEN1
SCHEMBL16690265 0.83 CES2 (0.49) ALDH1A1CES2MAPTNPC1MEN1

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