SCHEMBL8622869

SCHEMBL8622869

O=C(c1cccc([N+](=O)[O-])c1)c1ccc(Cl)c([N+](=O)[O-])c1

nearest known ligand 0.77

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 2/20 0.77
ALDH1A1 P00352 3/20 0.60
LMNA P02545 2/20 0.60
MAPT P10636 2/20 0.60
MAPK1 P28482 2/20 0.60
RAF1 P04049 1/20 0.60
HPGD P15428 1/20 0.60
GFER P55789 1/20 0.60
PAX8 Q06710 1/20 0.60
TSHR P16473 2/20 0.58
CES2 O00748 1/20 0.57
CES1 P23141 1/20 0.57
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
TP53 P04637 1/20 0.55
GAA P10253 2/20 0.50
HTT P42858 2/20 0.50
TDP2 O95551 2/20 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
SCHEMBL8625278 0.91 VCAM1 (0.87) VCAM1ALDH1A1LMNAMAPTMAPK1
SCHEMBL1258621 0.87 VCAM1 (1.00) VCAM1ALDH1A1LMNAMAPTMAPK1
SCHEMBL8626291 0.86 VCAM1 (0.84) VCAM1ALDH1A1LMNAMAPTMAPK1
SCHEMBL333018 0.86 VCAM1 (1.00) VCAM1ALDH1A1LMNAMAPTMAPK1
SCHEMBL8625340 0.86 VCAM1 (0.96) VCAM1ALDH1A1LMNAMAPTMAPK1
SCHEMBL28115730 0.85 VCAM1 (0.97) VCAM1ALDH1A1LMNAMAPTMAPK1
SCHEMBL181572 0.84 CES2 (0.78) ALDH1A1LMNAMAPTTSHRCES2
Ethyne SCHEMBL11571141 0.84 VCAM1 (0.94) VCAM1ALDH1A1LMNAMAPTMAPK1
SCHEMBL7787760 0.83 ALDH1A1 (0.63) VCAM1ALDH1A1LMNATSHRCES2
SCHEMBL25962653 0.83 VCAM1 (0.90) VCAM1ALDH1A1LMNAMAPTMAPK1

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-4618714-A NITRATION, REDUCTION, DECHLORINATION OF CHLORONITROBENZOPHENONES OBTAINED FROM A NITROBENZOYL CHLORIDE AND CHLOROBENZENE MITSUI TOATSU CHEMICALS, INC. (JP) 1986-10-21 US claimed
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
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
EP-0572196-A1 Polyimide, and preparation process of same MITSUI TOATSU CHEMICALS, Inc. (JP) 1993-12-01 EP disclosed
US-4618714-A NITRATION, REDUCTION, DECHLORINATION OF CHLORONITROBENZOPHENONES OBTAINED FROM A NITROBENZOYL CHLORIDE AND CHLOROBENZENE MITSUI TOATSU CHEMICALS, INC. (JP) 1986-10-21 US disclosed
US-4556738-A CATALYTICALLY REDUCING AND DEHALOGENATING A DINITROBENZOPHENONE MITSUI TOATSU CHEMICALS, INC. (JP) 1985-12-03 US disclosed
US-4540818-A Process for preparation of 3,3'- or 3,4'-diaminodiphenylmethane MITSUI TOATSU CHEMICALS, INC. (JP) 1985-09-10 US disclosed