SCHEMBL7169587

SCHEMBL7169587

N=Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 6/20 0.59
ALDH1A1 P00352 3/20 0.59
HPGD P15428 2/20 0.59
MAPK1 P28482 2/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
KDM4E B2RXH2 1/20 0.59
TTR P02766 1/20 0.59
CYP1A2 P05177 1/20 0.59
MAPT P10636 1/20 0.59
CYP2C9 P11712 1/20 0.59
ALOX15 P16050 1/20 0.59
ALOX12 P18054 1/20 0.59
RECQL P46063 1/20 0.59
PMP22 Q01453 1/20 0.59
HIF1A Q16665 1/20 0.59
HSD17B10 Q99714 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
ERN1 O75460 4/20 0.47
TP53 P04637 1/20 0.46

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
SCHEMBL7172702 0.98 GPR35 (0.58) GPR35ALDH1A1HPGDMAPK1MEN1
SCHEMBL29441809 0.84 ERN1 (0.67) GPR35ALDH1A1HPGDMAPK1MEN1
SCHEMBL831073 0.84 ERN1 (0.67) GPR35ALDH1A1HPGDMAPK1MEN1
Trinitrophenol SCHEMBL9809810 0.81 GPR35 (0.65) GPR35ALDH1A1HPGDMAPK1MEN1
Trinitrophenol SCHEMBL253750 0.80 GPR35 (0.79) GPR35ALDH1A1HPGDMAPK1MEN1
Trinitrophenol SCHEMBL8744 0.80 GPR35 (0.79) GPR35ALDH1A1HPGDMAPK1MEN1
SCHEMBL14198025 0.79 GPR35 (0.57) GPR35ALDH1A1HPGDMAPK1MEN1
Trinitrophenol SCHEMBL1692116 0.78 GPR35 (0.76) GPR35ALDH1A1HPGDMAPK1MEN1
Trinitrophenol SCHEMBL2260890 0.78 GPR35 (0.76) GPR35ALDH1A1HPGDMAPK1MEN1
Trinitrophenol SCHEMBL5908864 0.78 GPR35 (0.76) GPR35ALDH1A1HPGDMAPK1MEN1

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-6576779-B1 Catalyst compositions and processes for olefin polymers and copolymers CRYOVAC, INC. 2003-06-10 US disclosed
EP-0958279-A4 CATALYST COMPOSITIONS AND PROCESSES FOR OLEFIN POLYMERS AND COPOLYMERS CRYOVAC INC (US) 2002-10-09 EP disclosed
US-6410664-B1 USING POLYMERIZATION COORDINATION CATALYST CRYOVAC, INC. 2002-06-25 US disclosed
EP-0958279-A1 CATALYST COMPOSITIONS AND PROCESSES FOR OLEFIN POLYMERS AND COPOLYMERS Cryovac, Inc. (US) 1999-11-24 EP disclosed
WO-1998042664-A1 CATALYST COMPOSITIONS AND PROCESSES FOR OLEFIN POLYMERS AND COPOLYMERS CRYOVAC, INC. (US) 1998-10-01 WO disclosed