SCHEMBL27710883

SCHEMBL27710883

O=[N+]([O-])c1ccc(Oc2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 3/20 0.79
ALDH1A1 P00352 6/20 0.63
MEN1 O00255 5/20 0.63
KMT2A Q03164 5/20 0.63
MAPT P10636 5/20 0.63
HTT P42858 3/20 0.63
GAA P10253 2/20 0.63
MAPK1 P28482 2/20 0.63
TTR P02766 3/20 0.59
LMNA P02545 3/20 0.58
L3MBTL1 Q9Y468 1/20 0.57
POLB P06746 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
HPGD P15428 3/20 0.53
TDP1 Q9NUW8 1/20 0.52
KDM4E B2RXH2 1/20 0.51
GLA P06280 1/20 0.51
TP53 P04637 1/20 0.50
TSHR P16473 1/20 0.50
GPR35 Q9HC97 1/20 0.50

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
SCHEMBL1042708 0.93 HSPB1 (0.73) HSPB1ALDH1A1MEN1KMT2AMAPT
SCHEMBL29390372 0.93 HSPB1 (0.73) HSPB1ALDH1A1MEN1KMT2AMAPT
SCHEMBL5320033 0.92 L3MBTL1 (0.71) HSPB1ALDH1A1MEN1KMT2AMAPT
SCHEMBL27709532 0.90 HSPB1 (0.70) HSPB1ALDH1A1MEN1KMT2AMAPT
SCHEMBL25523778 0.89 HSPB1 (0.69) HSPB1ALDH1A1MEN1KMT2AMAPT
SCHEMBL8973686 0.89 HSPB1 (0.69) HSPB1ALDH1A1MEN1KMT2AMAPT
SCHEMBL27713078 0.88 HSPB1 (0.68) HSPB1ALDH1A1MEN1KMT2AMAPT
SCHEMBL27718692 0.88 HSPB1 (0.68) HSPB1ALDH1A1MEN1KMT2AMAPT
Hydroxyamine SCHEMBL6743942 0.87 ALDH1A1 (0.69) HSPB1ALDH1A1MEN1KMT2AMAPT
SCHEMBL27721309 0.87 HSPB1 (0.67) HSPB1ALDH1A1MEN1KMT2AMAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101234988-B Method for preparing 1,2-di(2,4-dinitrophenoxy)benzene UNIV DONGHUA 2010-12-08 CN disclosed
CN-101234988-B Method for preparing 1,2-di(2,4-dinitrophenoxy)benzene UNIV DONGHUA 2010-12-08 CN disclosed
CN-101234988-A Method for preparing 1,2-di(2,4-dinitrophenoxy)benzene UNIV DONGHUA (CN) 2008-08-06 CN disclosed
CN-101234988-A Method for preparing 1,2-di(2,4-dinitrophenoxy)benzene UNIV DONGHUA (CN) 2008-08-06 CN disclosed