SCHEMBL2935368

SCHEMBL2935368

N#CC=C1c2cc([N+](=O)[O-])ccc2-c2c1cc([N+](=O)[O-])cc2[N+](=O)[O-]

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 1/20 0.61
HSP90AA1 P07900 2/20 0.46
PTPRC P08575 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
S100A4 P26447 2/20 0.41
ALDH1A1 P00352 4/20 0.40
MAPK1 P28482 2/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GPR35 Q9HC97 1/20 0.40
HIF1A Q16665 1/20 0.40
TXNRD1 Q16881 1/20 0.39
TXNRD3 Q86VQ6 1/20 0.39
TXNRD2 Q9NNW7 1/20 0.39
CYP3A4 P08684 1/20 0.38
MAPT P10636 3/20 0.38
BAX Q07812 2/20 0.38
KDM4E B2RXH2 2/20 0.38

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
SCHEMBL5280879 1.00 HPRT1 (0.61) HPRT1HSP90AA1PTPRCTDP1S100A4
SCHEMBL11141617 0.85 PTPRC (0.55) HPRT1HSP90AA1PTPRCTDP1S100A4
SCHEMBL11355088 0.84 HPRT1 (0.58) HPRT1HSP90AA1PTPRCTDP1S100A4
SCHEMBL27907261 0.78 HPRT1 (0.51) HPRT1HSP90AA1PTPRCTDP1S100A4
SCHEMBL9151872 0.77 HPRT1 (0.50) HPRT1HSP90AA1PTPRCTDP1S100A4
SCHEMBL9151875 0.77 HPRT1 (0.50) HPRT1HSP90AA1PTPRCTDP1S100A4
SCHEMBL1034255 0.76 HPRT1 (1.00) HPRT1HSP90AA1PTPRCTDP1S100A4
SCHEMBL29413354 0.76 HPRT1 (1.00) HPRT1HSP90AA1PTPRCTDP1S100A4
SCHEMBL30309848 0.76 HPRT1 (1.00) HPRT1HSP90AA1PTPRCTDP1S100A4
SCHEMBL7697682 0.75 S100A4 (0.68) HPRT1HSP90AA1PTPRCTDP1S100A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7235620-B2 Polyester having π-conjugated group in side chain and charge transporting material using the same JAPAN SCIENCE AND TECHNOLOGY CORPORATION (JP) 2007-06-26 US claimed
EP-1411067-B1 POLYMER HAVING UNIQUE OPTICAL PROPERTY JAPAN SCIENCE & TECH AGENCY (JP) 2010-09-22 EP disclosed
US-7323538-B2 Polymer having unique optical property and polymerizable monomer therefor JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2008-01-29 US disclosed
EP-1505096-B1 NOVEL POLYESTER HAVING &pgr;-CONJUGATED GROUP IN SIDE CHAIN AND CHARGE TRANSPORTING MATERIAL USING THE SAME JAPAN SCIENCE & TECH CORP (JP) 2007-12-05 EP disclosed
US-7235620-B2 Polyester having π-conjugated group in side chain and charge transporting material using the same JAPAN SCIENCE AND TECHNOLOGY CORPORATION (JP) 2007-06-26 US disclosed
US-7012123-B2 Acrylic polymer and charge transport material SEKISVI CHEMICAL CO., LTD. (JP) 2006-03-14 US disclosed
US-20050228163-A1 Novel polyester having pi-conjugated group in side chain and charge transporting material using the same JAPAN SCIENCE AND TECHNOLOGY CORPORATION (JP) 2005-10-13 US disclosed
EP-1505096-A1 NOVEL POLYESTER HAVING &pgr;-CONJUGATED GROUP IN SIDE CHAIN AND CHARGE TRANSPORTING MATERIAL USING THE SAME Japan Science and Technology Corporation (JP) 2005-02-09 EP disclosed
EP-1357139-B1 Acrylic polymer and charge transport material SEKISUI CHEMICAL CO LTD (JP) 2004-12-01 EP disclosed
US-20040132963-A1 Polymer having unique optical property and polymerizable monomer therefor JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2004-07-08 US disclosed
EP-1411067-A1 POLYMER HAVING UNIQUE OPTICAL PROPERTY AND POLYMERIZABLE MONOMER THEREFOR Japan Science and Technology Corporation (JP) 2004-04-21 EP disclosed
US-20030204036-A1 Acrylic polymer and charge transport material SEKISUI CHEMICAL CO., LTD. 2003-10-30 US disclosed
EP-1357139-A2 Acrylic polymer and charge transport material SEKISUI CHEMICAL CO., LTD. (JP) 2003-10-29 EP disclosed