SCHEMBL16690164

SCHEMBL16690164

CCC(=O)ON=C(C)c1ccc(-c2ccccc2[N+](=O)[O-])cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPT P10636 7/20 0.42
KMT2A Q03164 6/20 0.42
MEN1 O00255 5/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
HRH2 P25021 1/20 0.41
HRH1 P35367 1/20 0.41
GLA P06280 1/20 0.40
ADAMTS4 O75173 1/20 0.40
ALPI P09923 1/20 0.39
MAOB P27338 1/20 0.39
LMNA P02545 4/20 0.39
HTT P42858 1/20 0.38
AVPR2 P30518 1/20 0.38
AVPR1A P37288 1/20 0.38
GAA P10253 2/20 0.37
MAPK1 P28482 1/20 0.37
RECQL P46063 1/20 0.37
PKM P14618 1/20 0.37

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
SCHEMBL16690174 0.91 ALDH1A1 (0.43) TDP1ALDH1A1MAPTKMT2AMEN1
SCHEMBL16690158 0.89 KMT2A (0.43) TDP1ALDH1A1MAPTKMT2AMEN1
SCHEMBL16690155 0.88 ALDH1A1 (0.50) TDP1ALDH1A1MAPTKMT2AMEN1
SCHEMBL16690154 0.87 KMT2A (0.46) TDP1ALDH1A1MAPTKMT2AMEN1
SCHEMBL16690248 0.86 ALDH1A1 (0.43) TDP1ALDH1A1MAPTKMT2AMEN1
SCHEMBL16690173 0.85 MAPT (0.42) TDP1ALDH1A1MAPTKMT2AMEN1
SCHEMBL16690151 0.84 ALDH1A1 (0.45) TDP1ALDH1A1MAPTKMT2AMEN1
SCHEMBL16690172 0.81 MAPK1 (0.47) ALDH1A1MAPTKMT2AMEN1GAA
SCHEMBL16690233 0.81 ALDH1A1 (0.39) TDP1ALDH1A1MAPTKMT2AMEN1
SCHEMBL16690234 0.80 HRH2 (0.38) TDP1ALDH1A1MAPTKMT2AMEN1

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