SCHEMBL8629267

SCHEMBL8629267

O=C(c1ccc(C(=O)c2ccc(I)c([N+](=O)[O-])c2)cc1)c1ccc(I)c([N+](=O)[O-])c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.72
VCAM1 P19320 2/20 0.61
MAPK1 P28482 3/20 0.53
LMNA P02545 4/20 0.51
MAPT P10636 3/20 0.51
ALDH1A1 P00352 2/20 0.51
RAF1 P04049 1/20 0.51
HPGD P15428 1/20 0.51
GFER P55789 1/20 0.51
PAX8 Q06710 1/20 0.51
TTR P02766 3/20 0.50
ABCC3 O15438 1/20 0.50
ABCC4 O15439 1/20 0.50
NR1I2 O75469 1/20 0.50
ABCB11 O95342 1/20 0.50
NR3C1 P04150 1/20 0.50
PGR P06401 1/20 0.50
HTR1A P08908 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
RARB P10826 1/20 0.50

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
SCHEMBL10954211 0.98 PARP1 (0.74) PARP1VCAM1MAPK1LMNAMAPT
SCHEMBL6561918 0.93 VCAM1 (0.68) PARP1VCAM1MAPK1LMNAMAPT
SCHEMBL8625237 0.93 PARP1 (0.64) PARP1VCAM1MAPK1LMNAMAPT
SCHEMBL8623024 0.91 PARP1 (0.66) PARP1VCAM1MAPK1LMNAMAPT
SCHEMBL10955605 0.89 VCAM1 (0.81) PARP1VCAM1MAPK1LMNAMAPT
SCHEMBL8622632 0.86 PARP1 (0.59) PARP1VCAM1MAPK1ALDH1A1TDP1
SCHEMBL30995722 0.85 PARP1 (0.72) PARP1LMNACASP6TSHR
SCHEMBL1766442 0.85 PARP1 (0.72) PARP1LMNACASP6TSHR
Iniparib SCHEMBL29354973 0.84 PARP1 (1.00) PARP1LMNAMAPTALDH1A1CASP6
SCHEMBL3181806 0.84 PARP1 (0.70) PARP1VCAM1MAPK1LMNAMAPT

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 4 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