SCHEMBL7599153

SCHEMBL7599153

O=C(O[N+]1(O)C(=O)CCC1=O)c1cccc([N+](=O)[O-])c1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.42
TSHR P16473 2/20 0.39
MAPK1 P28482 1/20 0.37
ALDH1A1 P00352 2/20 0.37
GLA P06280 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 1/20 0.36
CTSD P07339 1/20 0.35
NPC1 O15118 1/20 0.35
GAA P10253 1/20 0.35
NFKB1 P19838 1/20 0.35
RAB9A P51151 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL2363487 0.88 ALDH1A1 (0.46) MAPK1ALDH1A1GLAKDM4EMEN1
SCHEMBL5072683 0.77 GPR35 (0.55) GPR35TSHRALDH1A1GLAMEN1
SCHEMBL828466 0.77 GPR35 (0.55) GPR35TSHRALDH1A1GLAKDM4E
SCHEMBL9332168 0.75 THRB (0.45) TSHRMAPK1ALDH1A1GLAKDM4E
SCHEMBL7369896 0.74 TSHR (0.54) GPR35TSHRMAPK1ALDH1A1GLA
SCHEMBL7437947 0.73 GPR35 (0.58) GPR35TSHRALDH1A1GLATDP1
SCHEMBL7417028 0.71 GPR35 (0.60) GPR35TSHRALDH1A1GLATDP1
SCHEMBL7263414 0.71 GPR35 (0.60) GPR35TSHRALDH1A1GLATDP1
SCHEMBL30893562 0.71 TSHR (0.68) GPR35TSHRALDH1A1KDM4EMEN1
SCHEMBL3671 0.71 TSHR (0.68) GPR35TSHRALDH1A1KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0135587-B2 DEFINED SEQUENCE SINGLE STRAND OLIGONUCLEOTIDES INCORPORATING REPORTER GROUPS, PROCESS FOR THE CHEMICAL SYNTHESIS THEREOF, AND NUCLEOSIDES USEFUL IN SUCH SYNTHESIS SYNGENE INC (US) 2002-12-18 EP disclosed
US-5817786-A Single-stranded labelled oligonucleotides of preselected sequences MOLECULAR BIOSYSTEMS, INC. (US) 1998-10-06 US disclosed
US-5668266-A Synthesis of single-stranded labelled oligonucleotides of preselected sequence SYNGENE, INC. (US) 1997-09-16 US disclosed
US-5541313-A Single-stranded labelled oligonucleotides of preselected sequence MOLECULAR BIOSYSTEMS, INC. (US) 1996-07-30 US disclosed
US-4948882-A Single-stranded labelled oligonucleotides, reactive monomers and methods of synthesis SYNGENE, INC. (US) 1990-08-14 US disclosed
EP-0135587-B1 DEFINED SEQUENCE SINGLE STRAND OLIGONUCLEOTIDES INCORPORATING REPORTER GROUPS, PROCESS FOR THE CHEMICAL SYNTHESIS THEREOF, AND NUCLEOSIDES USEFUL IN SUCH SYNTHESIS SYNGENE, INC. (US) 1990-05-02 EP disclosed
EP-0135587-A4 DEFINED SEQUENCE SINGLE STRAND OLIGONUCLEOTIDES INCORPORATING REPORTER GROUPS, PROCESS FOR THE CHEMICAL SYNTHESIS THEREOF, AND NUCLEOSIDES USEFUL IN SUCH SYNTHESIS. MOLECULAR BIOSYSTEMS INC (US) 1986-04-02 EP disclosed
EP-0135587-A1 DEFINED SEQUENCE SINGLE STRAND OLIGONUCLEOTIDES INCORPORATING REPORTER GROUPS, PROCESS FOR THE CHEMICAL SYNTHESIS THEREOF, AND NUCLEOSIDES USEFUL IN SUCH SYNTHESIS. MOLECULAR BIOSYSTEMS INC (US) 1985-04-03 EP disclosed
WO-1984003285-A1 DEFINED SEQUENCE SINGLE STRAND OLIGONUCLEOTIDES INCORPORATING REPORTER GROUPS, PROCESS FOR THE CHEMICAL SYNTHESIS THEREOF, AND NUCLEOSIDES USEFUL IN SUCH SYNTHESIS MOLECULAR BIOSYSTEMS INC (US) 1984-08-30 WO disclosed