SCHEMBL8625237

SCHEMBL8625237

O=C(c1ccc([N+](=O)[O-])cc1)c1ccc(I)c([N+](=O)[O-])c1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.64
TDP1 Q9NUW8 2/20 0.58
ALDH1A1 P00352 2/20 0.58
MAPT P10636 1/20 0.58
SRD5A2 P31213 2/20 0.57
LMNA P02545 1/20 0.56
GAA P10253 1/20 0.56
VCAM1 P19320 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
MAPK1 P28482 2/20 0.53
POLB P06746 1/20 0.53
CES1 P23141 1/20 0.50
CA1 P00915 3/20 0.49
CA2 P00918 3/20 0.49
CA12 O43570 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
TSHR P16473 1/20 0.47

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
SCHEMBL8629267 0.93 PARP1 (0.72) PARP1TDP1ALDH1A1MAPTSRD5A2
SCHEMBL10954211 0.92 PARP1 (0.74) PARP1TDP1ALDH1A1MAPTLMNA
SCHEMBL6561918 0.87 VCAM1 (0.68) PARP1TDP1ALDH1A1MAPTLMNA
SCHEMBL8622632 0.86 PARP1 (0.59) PARP1TDP1ALDH1A1VCAM1MAPK1
SCHEMBL8623024 0.85 PARP1 (0.66) PARP1TDP1ALDH1A1MAPTLMNA
SCHEMBL10955605 0.83 VCAM1 (0.81) PARP1ALDH1A1MAPTLMNAGAA
SCHEMBL10952575 0.82 VCAM1 (0.56) PARP1TDP1ALDH1A1MAPTLMNA
SCHEMBL8625345 0.81 ALDH1A1 (0.64) TDP1ALDH1A1MAPTSRD5A2LMNA
SCHEMBL8626291 0.81 VCAM1 (0.84) TDP1ALDH1A1MAPTSRD5A2LMNA
SCHEMBL3575705 0.81 ALDH1A1 (0.58) TDP1ALDH1A1MAPTSRD5A2LMNA

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 5 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
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-4556738-A CATALYTICALLY REDUCING AND DEHALOGENATING A DINITROBENZOPHENONE MITSUI TOATSU CHEMICALS, INC. (JP) 1985-12-03 US disclosed