SCHEMBL27720337

SCHEMBL27720337

O=[N+]([O-])c1ccc(Oc2ccc(-c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)cc2)c([N+](=O)[O-])c1

nearest known ligand 0.77

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.77
MEN1 O00255 5/20 0.77
KMT2A Q03164 5/20 0.77
ALDH1A1 P00352 5/20 0.77
HSPB1 P04792 4/20 0.77
POLB P06746 1/20 0.68
LMNA P02545 4/20 0.59
GAA P10253 3/20 0.59
HTT P42858 3/20 0.59
KDM4E B2RXH2 2/20 0.59
GLA P06280 2/20 0.59
HPGD P15428 1/20 0.59
THRB P10828 1/20 0.54
PDE7A Q13946 2/20 0.54
TTR P02766 3/20 0.52
MAPK1 P28482 1/20 0.50
PTPN1 P18031 1/20 0.49
TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL11322040 0.93 MEN1 (0.82) MAPTMEN1KMT2AALDH1A1HSPB1
SCHEMBL27732206 0.90 MAPT (0.68) MAPTMEN1KMT2AALDH1A1HSPB1
SCHEMBL28589234 0.89 MAPT (0.75) MAPTMEN1KMT2AALDH1A1HSPB1
SCHEMBL27713527 0.88 ALDH1A1 (0.73) MAPTMEN1KMT2AALDH1A1HSPB1
SCHEMBL5315876 0.87 MAPT (0.73) MAPTMEN1KMT2AALDH1A1HSPB1
SCHEMBL11600913 0.87 MEN1 (0.73) MAPTMEN1KMT2AALDH1A1HSPB1
SCHEMBL29552654 0.87 ALDH1A1 (1.00) MAPTMEN1KMT2AALDH1A1HSPB1
SCHEMBL10537196 0.87 ALDH1A1 (0.73) MAPTMEN1KMT2AALDH1A1HSPB1
SCHEMBL554311 0.87 ALDH1A1 (1.00) MAPTMEN1KMT2AALDH1A1HSPB1
SCHEMBL25518736 0.87 ALDH1A1 (0.73) MAPTMEN1KMT2AALDH1A1HSPB1

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-101245011-B Process for producing 4,4'bis(2,4-dinitrophenoxy) biphenyl UNIV DONGHUA 2011-06-08 CN disclosed
CN-101293842-B Method for preparing 4,4'-di(2,4-diaminophenyloxy)biphenyl UNIV DONGHUA 2011-04-27 CN disclosed
CN-101293842-A Method for preparing 4,4'-di(2,4-diaminophenyloxy)biphenyl UNIV DONGHUA (CN) 2008-10-29 CN disclosed
CN-101245011-A Process for producing 4,4'bis(2,4-dinitrophenoxy) biphenyl UNIV DONGHUA (CN) 2008-08-20 CN disclosed