SCHEMBL7599146

SCHEMBL7599146

O=C(CC/C(=N/O)OC(=O)c1cccc([N+](=O)[O-])c1[N+](=O)[O-])OC(=O)c1cccc([N+](=O)[O-])c1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.39
TSHR P16473 2/20 0.36
CTSD P07339 1/20 0.36
ALDH1A1 P00352 4/20 0.35
MAPT P10636 4/20 0.34
LMNA P02545 2/20 0.34
HTT P42858 1/20 0.34
POLB P06746 1/20 0.34
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 1/20 0.33
P2RX1 P51575 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL2363486 0.89 CTSD (0.44) CTSDALDH1A1MAPTLMNAHTT
SCHEMBL5072683 0.74 GPR35 (0.55) GPR35TSHRCTSDALDH1A1MAPT
SCHEMBL828466 0.74 GPR35 (0.55) GPR35TSHRCTSDALDH1A1MAPT
SCHEMBL2362641 0.72 RAB9A (0.41) ALDH1A1MAPTLMNAHTTPOLB
SCHEMBL2363363 0.72 CES2 (0.41) ALDH1A1HTTL3MBTL1KDM4EGAA
SCHEMBL7369896 0.71 TSHR (0.54) GPR35TSHRCTSDALDH1A1MAPT
SCHEMBL9244293 0.70 AKR1C3 (0.44) ALDH1A1MAPTLMNAL3MBTL1GAA
SCHEMBL4339404 0.70 CTSD (0.47) CTSDALDH1A1MAPTLMNAHTT
SCHEMBL5195782 0.69 CYP3A4 (0.33) ALDH1A1KDM4E
SCHEMBL7417028 0.69 GPR35 (0.60) GPR35TSHRCTSDALDH1A1LMNA

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