SCHEMBL28294553

SCHEMBL28294553

CC(O)C(Oc1ccc([N+](=O)[O-])cc1)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
MAPT P10636 3/20 0.56
NPC1 O15118 1/20 0.56
HTT P42858 1/20 0.56
RAB9A P51151 1/20 0.56
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
CES2 O00748 1/20 0.51
CES1 P23141 1/20 0.51
LMNA P02545 2/20 0.50
HTR2A P28223 1/20 0.49
GAA P10253 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HSD17B10 Q99714 2/20 0.47
TP53 P04637 1/20 0.47
CYP3A4 P08684 1/20 0.47
THRB P10828 1/20 0.47
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL9386790 0.85 MEN1 (0.55) MEN1KMT2AMAPTNPC1HTT
Ammonia Solution, Strong SCHEMBL28128418 0.84 MEN1 (0.54) MEN1KMT2AMAPTNPC1HTT
SCHEMBL31144660 0.81 CA1 (0.53) MEN1KMT2AMAPTNPC1HTT
SCHEMBL9320810 0.81 MEN1 (0.54) MEN1KMT2AMAPTNPC1HTT
SCHEMBL4778707 0.81 KMT2A (0.67) MEN1KMT2AMAPTNPC1HTT
SCHEMBL4774736 0.80 GAA (0.50) MEN1KMT2AMAPTNPC1HTT
SCHEMBL8957371 0.79 MEN1 (0.47) MEN1KMT2AMAPTNPC1HTT
SCHEMBL11282600 0.79 MEN1 (0.50) MEN1KMT2AMAPTNPC1HTT
SCHEMBL16455142 0.78 LMNA (0.52) MEN1KMT2AMAPTNPC1HTT
SCHEMBL21633908 0.78 MEN1 (0.51) MEN1KMT2AMAPTNPC1HTT

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-109641832-A Azo-compound, polymer and Preparation method and use 广东东阳光药业有限公司 2019-04-16 CN disclosed