SCHEMBL8622602

SCHEMBL8622602

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

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 2/20 0.56
MAPK1 P28482 3/20 0.53
MAPT P10636 6/20 0.49
GAA P10253 1/20 0.47
ALDH1A1 P00352 3/20 0.46
CYP2D6 P10635 1/20 0.46
LMNA P02545 2/20 0.46
CASP6 P55212 1/20 0.46
ATM Q13315 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
RAF1 P04049 1/20 0.44
HPGD P15428 1/20 0.44
GFER P55789 1/20 0.44
PAX8 Q06710 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43

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
SCHEMBL10948000 0.93 VCAM1 (0.62) VCAM1MAPK1MAPTGAAALDH1A1
SCHEMBL11466888 0.92 VCAM1 (0.68) VCAM1MAPK1MAPTALDH1A1CYP2D6
SCHEMBL8625493 0.91 VCAM1 (0.61) VCAM1MAPK1MAPTGAAALDH1A1
SCHEMBL3572303 0.91 CES2 (0.57) VCAM1MAPK1ALDH1A1TDP1CES2
Methyl Alcohol SCHEMBL27754511 0.89 VCAM1 (0.64) VCAM1MAPK1MAPTGAAALDH1A1
Carbamic Acid SCHEMBL28096989 0.88 MAPK1 (0.62) VCAM1MAPK1MAPTALDH1A1CYP2D6
SCHEMBL3575705 0.85 ALDH1A1 (0.58) VCAM1MAPK1MAPTGAAALDH1A1
SCHEMBL10953459 0.84 VCAM1 (0.81) VCAM1MAPK1MAPTGAAALDH1A1
SCHEMBL2156916 0.82 CES1 (0.54) VCAM1MAPTGAAALDH1A1CYP2D6
SCHEMBL99875 0.81 CASP6 (0.70) LMNACASP6

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 8 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-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-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-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-0474501-A1 Aromatic diamine compound, preparation process of same and polyimide prepared from same MITSUI TOATSU CHEMICALS, Inc. (JP) 1992-03-11 EP disclosed