SCHEMBL8775401

SCHEMBL8775401

O=[N+]([O-])c1cccc(Oc2ccc(-c3ccc(Oc4cccc([N+](=O)[O-])c4)cc3)cc2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.61
LTA4H P09960 1/20 0.57
PTGS2 P35354 1/20 0.57
KDM4E B2RXH2 1/20 0.56
LMNA P02545 2/20 0.55
TSHR P16473 1/20 0.55
PGR P06401 1/20 0.52
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
LPAR3 Q9UBY5 1/20 0.51
ABCG2 Q9UNQ0 1/20 0.50
CHEK2 O96017 1/20 0.50
MEN1 O00255 1/20 0.50
MAPT P10636 1/20 0.50
KMT2A Q03164 1/20 0.50
MCL1 Q07820 1/20 0.49
CHRNB2 P17787 1/20 0.49
CHRNA4 P43681 1/20 0.49
HSPB1 P04792 1/20 0.49
FFAR1 O14842 1/20 0.48

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
SCHEMBL30042572 1.00 ALDH1A1 (0.61) ALDH1A1LTA4HPTGS2KDM4ELMNA
SCHEMBL8374402 0.95 ABCG2 (0.56) ALDH1A1LTA4HPTGS2KDM4ELMNA
SCHEMBL9356592 0.94 ALDH1A1 (0.67) ALDH1A1LTA4HPTGS2KDM4ELMNA
SCHEMBL9158141 0.94 ALDH1A1 (0.67) ALDH1A1LTA4HPTGS2KDM4ELMNA
SCHEMBL9214229 0.91 ALDH1A1 (0.73) ALDH1A1LTA4HPTGS2KDM4ELMNA
SCHEMBL4203388 0.91 TSHR (0.67) ALDH1A1LTA4HPTGS2KDM4ELMNA
SCHEMBL4456862 0.89 ALDH1A1 (0.60) ALDH1A1LTA4HPTGS2KDM4ELMNA
SCHEMBL6273333 0.89 TSHR (0.64) ALDH1A1LTA4HPTGS2KDM4ELMNA
SCHEMBL30043252 0.89 TSHR (0.64) ALDH1A1LTA4HPTGS2KDM4ELMNA
SCHEMBL10829168 0.86 NFE2L2 (0.61) ALDH1A1LTA4HPTGS2KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-62070347-A None JP disclosed
EP-0235294-B1 POLYIMIDES AND HEAT-RESISTANT ADHESIVES COMPRISING THE SAME MITSUI TOATSU CHEMICALS (JP) 1997-11-12 EP disclosed
EP-0729995-A1 Polyimide and high-temperature adhesive of polyimide MITSUI TOATSU CHEMICALS, Inc. (JP) 1996-09-04 EP disclosed
EP-0435659-B1 Preparation process of bis(3-nitrophenoxy) compound MITSUI TOATSU CHEMICALS (JP) 1995-02-22 EP disclosed
EP-0192480-B1 Bis(3-aminophenoxy) aromatics and method of preparing the same MITSUI TOATSU CHEMICALS (JP) 1994-11-23 EP disclosed
US-5296635-A Condensing dihydroxydiphenyl compound and meta-dinitrobenzene in aprotic polar solvent with alkali metal carbonate while removing water formed MITSUI TOATSU CHEMICALS, INC. (JP) 1994-03-22 US disclosed
US-5278276-A Polyamic acid precursor; prepared from bis/aminophenoxyphenyl/ compounds and tetracarboxylic acid dianhydrides MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1994-01-11 US disclosed
US-5205894-A High bonding strength MITSUI TOATSU CHEMICALS, INC. (JP) 1993-04-27 US disclosed
EP-0267289-B1 POLYIMIDE RESIN COMPOSITION MITSUI TOATSU CHEMICALS, Inc. (JP) 1993-03-17 EP disclosed
US-5087689-A High temperature adhesives MITSUI TOATSU CHEMICALS, INC. (JP) 1992-02-11 US disclosed
US-5077436-A Reacting dihydroxy derivatives with m-dinitrobenzene; reducing MITSUI TOATSU CHEMICALS, INC. (JP) 1991-12-31 US disclosed
EP-0251741-B1 POLYIMIDE RESIN COMPOSITION MITSUI TOATSU CHEMICALS, Inc. (JP) 1991-08-21 EP disclosed
EP-0435659-A2 Preparation process of bis(3-nitrophenoxy) compound MITSUI TOATSU CHEMICALS, Inc. (JP) 1991-07-03 EP disclosed
US-4847311-A ETHER CONTAINING AMINE, TETRACARBOXYLIC ACID, FIBER REINFORCEMENT MITSUI TOATSU CHEMICALS, INC. (JP) 1989-07-11 US disclosed
US-4847349-A ADHESIVES, HEAT AND SOLVENT RESISTANCE MITSUI TOATSU CHEMICALS, INC. (JP) 1989-07-11 US disclosed
US-4816516-A BLENDS FOR MOLDING MATERIALS MITSUI TOATSU CHEMICALS, INC. (JP) 1989-03-28 US disclosed
EP-0267289-A1 POLYIMIDE RESIN COMPOSITION MITSUI TOATSU CHEMICALS, Inc. (JP) 1988-05-18 EP disclosed
EP-0235294-A1 POLYIMIDES AND HEAT-RESISTANT ADHESIVES COMPRISING THE SAME MITSUI TOATSU CHEMICALS, Inc. (JP) 1987-09-09 EP disclosed
JP-S6270347-A 4,4'-BIS(3-AMINOPHENOXY)BIPHENYL MITSUI TOATSU CHEM INC 1987-03-31 JP disclosed
EP-0192480-A1 Bis(3-aminophenoxy) aromatics and method of preparing the same MITSUI TOATSU CHEMICALS, Inc. (JP) 1986-08-27 EP disclosed