SCHEMBL16690256

SCHEMBL16690256

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

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.42
MAPT P10636 9/20 0.41
NPC1 O15118 3/20 0.41
ALDH1A1 P00352 3/20 0.41
RAB9A P51151 2/20 0.41
HTT P42858 2/20 0.41
MEN1 O00255 7/20 0.39
KMT2A Q03164 7/20 0.39
POLB P06746 4/20 0.39
TDP1 Q9NUW8 2/20 0.39
CES1 P23141 3/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
AHR P35869 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GAA P10253 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
SCHEMBL16690260 0.90 CES2 (0.43) CES2MAPTNPC1ALDH1A1RAB9A
SCHEMBL16690268 0.90 CES2 (0.46) CES2MAPTNPC1ALDH1A1RAB9A
SCHEMBL16690200 0.89 ALDH1A1 (0.41) CES2MAPTALDH1A1HTTMEN1
SCHEMBL16690161 0.88 ALDH1A1 (0.43) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL16690265 0.84 CES2 (0.49) CES2MAPTNPC1ALDH1A1RAB9A
SCHEMBL16690198 0.82 CES2 (0.49) CES2MAPTNPC1ALDH1A1RAB9A
SCHEMBL19795458 0.81 MAPT (0.44) CES2MAPTNPC1ALDH1A1RAB9A
SCHEMBL17069975 0.81 MAPT (0.44) CES2MAPTNPC1ALDH1A1RAB9A
SCHEMBL16690192 0.81 KMT2A (0.45) CES2MAPTALDH1A1HTTMEN1
SCHEMBL16690193 0.80 ALDH1A1 (0.39) CES2ALDH1A1MEN1KMT2ATDP1

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