SCHEMBL8959273

SCHEMBL8959273

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

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 5/20 0.72
TSHR P16473 4/20 0.53
ALDH1A1 P00352 3/20 0.53
HPGD P15428 2/20 0.53
MAPK1 P28482 2/20 0.53
TP53 P04637 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
ALOX15 P16050 2/20 0.46
TDP1 Q9NUW8 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 1/20 0.45
TTR P02766 1/20 0.45
CYP1A2 P05177 1/20 0.45
MAPT P10636 1/20 0.45
CYP2C9 P11712 1/20 0.45
ALOX12 P18054 1/20 0.45
RECQL P46063 1/20 0.45
PMP22 Q01453 1/20 0.45
HIF1A Q16665 1/20 0.45

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
2,4-Dinitrophenol SCHEMBL7030615 0.88 GPR35 (0.72) GPR35TSHRALDH1A1HPGDMAPK1
2,4-Dinitrophenol SCHEMBL27991650 0.86 GPR35 (0.70) GPR35TSHRALDH1A1HPGDMAPK1
2,4-Dinitrophenol SCHEMBL16980 0.85 GPR35 (0.52) GPR35TSHRALDH1A1HPGDMAPK1
SCHEMBL547995 0.85 GPR35 (1.00) GPR35TSHRALDH1A1HPGDMAPK1
SCHEMBL1040777 0.85 GPR35 (1.00) GPR35TSHRALDH1A1HPGDMAPK1
SCHEMBL16979 0.85 GPR35 (1.00) GPR35TSHRALDH1A1HPGDMAPK1
SCHEMBL29516730 0.85 GPR35 (1.00) GPR35TSHRALDH1A1HPGDMAPK1
Nitrophenolate SCHEMBL27762994 0.83 GPR35 (0.89) GPR35TSHRALDH1A1HPGDMAPK1
Ammonia Solution, Strong SCHEMBL4427722 0.83 GPR35 (0.96) GPR35TSHRALDH1A1HPGDMAPK1
SCHEMBL5492558 0.83 GPR35 (0.96) GPR35TSHRALDH1A1HPGDMAPK1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0611387-B1 A SELF-FADING COLOR ADHESIVE MINNESOTA MINING & MFG (US) 1996-01-24 EP claimed
EP-0611387-A1 A SELF-FADING COLOR ADHESIVE. MINNESOTA MINING & MFG (US) 1994-08-24 EP claimed
WO-1993009197-A1 A SELF-FADING COLOR ADHESIVE MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1993-05-13 WO claimed
EP-0611387-B1 A SELF-FADING COLOR ADHESIVE MINNESOTA MINING & MFG (US) 1996-01-24 EP disclosed
US-5480925-A FOR SPRAYING MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-01-02 US disclosed
EP-0611387-A1 A SELF-FADING COLOR ADHESIVE. MINNESOTA MINING & MFG (US) 1994-08-24 EP disclosed
WO-1993009197-A1 A SELF-FADING COLOR ADHESIVE MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1993-05-13 WO disclosed