SCHEMBL8627482

SCHEMBL8627482

O=C(c1cccc(C(=O)c2ccc(F)c([N+](=O)[O-])c2)c1)c1ccc(F)c([N+](=O)[O-])c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 1/20 0.58
ITGA5 P08648 1/20 0.58
VCAM1 P19320 3/20 0.56
TTR P02766 7/20 0.54
MAPK1 P28482 2/20 0.53
ALDH1A1 P00352 2/20 0.51
HIF1A Q16665 2/20 0.51
MAPT P10636 3/20 0.49
MEN1 O00255 2/20 0.49
LMNA P02545 2/20 0.49
KMT2A Q03164 2/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
GPR35 Q9HC97 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
KDM4E B2RXH2 1/20 0.48
GMNN O75496 1/20 0.48
TP53 P04637 1/20 0.48
CYP3A4 P08684 1/20 0.48
THRB P10828 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
SCHEMBL4605109 0.93 VCAM1 (0.62) ITGB1ITGA5VCAM1TTRMAPK1
SCHEMBL7497537 0.92 VCAM1 (0.68) ITGB1ITGA5VCAM1TTRMAPK1
SCHEMBL8626465 0.91 TTR (0.62) ITGB1ITGA5VCAM1TTRMAPK1
SCHEMBL8623532 0.91 ALDH1A1 (0.58) ITGB1ITGA5VCAM1TTRMAPK1
Ammonia Solution, Strong SCHEMBL27483503 0.90 VCAM1 (0.66) ITGB1ITGA5VCAM1TTRMAPK1
Methyl Alcohol SCHEMBL28111073 0.89 VCAM1 (0.64) ITGB1ITGA5VCAM1TTRMAPK1
Carbamic Acid SCHEMBL28101135 0.88 MAPK1 (0.62) ITGB1ITGA5VCAM1TTRMAPK1
SCHEMBL10076773 0.87 TTR (0.70) ITGB1ITGA5VCAM1TTRMAPK1
Nitrous Acid SCHEMBL27695747 0.86 VCAM1 (0.61) ITGB1ITGA5VCAM1TTRMAPK1
SCHEMBL27680052 0.86 VCAM1 (0.61) ITGB1ITGA5VCAM1TTRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5710334-A PENDANT ETHER GROUPS, POLYIMIDES WITH IMPROVED SOLUBILITY, MELT FLOW STABILITY, PROCESSABILITY MITSUI TOATSU CHEMICALS, INC. (JP) 1998-01-20 US disclosed
EP-0572196-B1 Polyimide, and preparation process of same MITSUI TOATSU CHEMICALS (JP) 1997-08-06 EP disclosed
EP-0518543-B1 Polyimide and process for the preparation thereof MITSUI TOATSU CHEMICALS (JP) 1997-03-12 EP disclosed
EP-0474501-B1 Aromatic diamine compound, preparation process of same and polyimide prepared from same MITSUI TOATSU CHEMICALS (JP) 1996-02-14 EP disclosed
US-5480965-A BASED ON A NOVEL DIAMINO COMPOUND DERIVED FROM BENZOPHENONE STRUCTURE; FIBER REINFORCEMENT MITSUI TOATSU CHEMICALS, INC. (JP) 1996-01-02 US disclosed
US-5354890-A Aromatic diamine intermediates useful in the preparation of polyimides MITSUI TOATSU CHEMICALS, INC. (JP) 1994-10-11 US disclosed
US-5322962-A Produce polyimides with high heat and chemical resistance, processability MITSUI TOATSU CHEMICALS, INC. (JP) 1994-06-21 US disclosed
EP-0572196-A1 Polyimide, and preparation process of same MITSUI TOATSU CHEMICALS, Inc. (JP) 1993-12-01 EP disclosed
US-5260388-A Reacting aromatic diamine with tetracarboxylic anhydride in presence of aromatic dicarboxylic anhydride or monoamine, imidizing; low dielectric characteristics; electronics MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1993-11-09 US disclosed
US-5231160-A AROMATIC DIAMINE COMPOUND, PREPARATION PROCESS OF SAME AND POLYIMIDE PREPARED FROM SAME MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1993-07-27 US disclosed
EP-0518543-A2 Polyimide and process for the preparation thereof MITSUI TOATSU CHEMICALS, Inc. (JP) 1992-12-16 EP disclosed
EP-0474501-A1 Aromatic diamine compound, preparation process of same and polyimide prepared from same MITSUI TOATSU CHEMICALS, Inc. (JP) 1992-03-11 EP disclosed