SCHEMBL2935852

SCHEMBL2935852

N#CCC#N.O=[N+]([O-])c1ccc2c(c1)Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1-2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 1/20 0.52
TLR9 Q9NR96 3/20 0.48
LMNA P02545 2/20 0.48
RAB9A P51151 2/20 0.48
MEN1 O00255 1/20 0.48
MAPT P10636 1/20 0.48
KMT2A Q03164 1/20 0.48
TDP2 O95551 1/20 0.43
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
PARP1 P09874 1/20 0.39
ALDH1A1 P00352 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP1A2 P05177 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NPC1 O15118 1/20 0.39
HSP90AA1 P07900 1/20 0.38
GAA P10253 1/20 0.38
PGR P06401 1/20 0.38
TP53 P04637 1/20 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
SCHEMBL30785663 0.89 TLR9 (0.58) HPRT1TLR9LMNARAB9AMEN1
SCHEMBL252575 0.89 TLR9 (0.58) HPRT1TLR9LMNARAB9AMEN1
SCHEMBL28022313 0.88 TLR9 (0.56) HPRT1TLR9LMNARAB9AMEN1
SCHEMBL6060723 0.82 TLR9 (0.53) HPRT1TLR9LMNARAB9AMEN1
SCHEMBL19101365 0.78 TYMS (0.50) HPRT1TLR9LMNARAB9AMEN1
SCHEMBL10449700 0.76 CYP1A2 (0.53) TLR9LMNARAB9AMEN1MAPT
SCHEMBL7741231 0.75 MAPT (0.55) TLR9LMNARAB9AMEN1MAPT
SCHEMBL5449817 0.75 ALDH1A1 (0.47) TLR9LMNARAB9AMEN1MAPT
SCHEMBL29962492 0.75 ALDH1A1 (0.47) TLR9LMNARAB9AMEN1MAPT
SCHEMBL987760 0.73 TLR9 (0.79) TLR9LMNARAB9AMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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