SCHEMBL8100705

SCHEMBL8100705

O=C1c2cc([N+](=O)[O-])ccc2-c2c1cccc2[N+](=O)[O-]

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 5/20 0.66
PTPRC P08575 4/20 0.66
BCHE P06276 1/20 0.61
ACHE P22303 1/20 0.61
CES1 P23141 1/20 0.61
MAPT P10636 3/20 0.55
TDP1 Q9NUW8 2/20 0.55
CYP1A2 P05177 2/20 0.51
HIF1A Q16665 2/20 0.51
HSD17B10 Q99714 2/20 0.51
ALDH1A1 P00352 2/20 0.50
CYP3A4 P08684 2/20 0.50
TP53 P04637 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
MAPK1 P28482 1/20 0.50
CYP2C19 P33261 1/20 0.50
STAT6 P42226 1/20 0.50
PHLPP2 Q6ZVD8 1/20 0.50
RECQL P46063 1/20 0.47

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
SCHEMBL6262681 0.97 S100A4 (0.71) S100A4PTPRCBCHEACHECES1
SCHEMBL30173663 0.92 S100A4 (0.64) S100A4PTPRCBCHEACHECES1
SCHEMBL10948128 0.92 S100A4 (0.64) S100A4PTPRCBCHEACHECES1
SCHEMBL9185849 0.92 S100A4 (0.64) S100A4PTPRCBCHEACHECES1
SCHEMBL10946998 0.91 S100A4 (0.62) S100A4PTPRCBCHEACHECES1
SCHEMBL29413355 0.84 S100A4 (0.62) S100A4PTPRCBCHEACHECES1
SCHEMBL55362 0.84 S100A4 (0.62) S100A4PTPRCBCHEACHECES1
SCHEMBL2077926 0.83 S100A4 (0.93) S100A4PTPRCMAPTTDP1CYP1A2
SCHEMBL6647847 0.83 PTPRC (0.59) S100A4PTPRCBCHEACHECES1
SCHEMBL11077512 0.83 S100A4 (0.64) S100A4PTPRCMAPTCYP1A2HIF1A

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-57082846-A None JP disclosed
US-20070132369-A1 Transparent contacts for organic devices FORREST STEPHEN R 2007-06-14 US disclosed
US-7173369-B2 Transparent contacts for organic devices THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2007-02-06 US disclosed
CN-1246415-A Method for producing pattern forming article CCA K K (JP) 2000-03-08 CN disclosed
EP-0974437-A2 Method for producing patterned shaped articles CCA INC. (JP) 2000-01-26 EP disclosed
US-5434264-A α,α-disubstituted aromatics and heteroaromatics as cognition enhancers THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-07-18 US disclosed
US-5300642-A α, α-disubstituted aromatics and heteroaromatics as cognition enhancers THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1994-04-05 US disclosed
EP-0311010-B1 Alpha,Alpha-disubstituted aromatics and heteroaromatics as cognition enhancers DU PONT MERCK PHARMA (US) 1994-02-02 EP disclosed
US-5252415-A Charging surface, forming latent image by dot-wise exposure, developing, using photoreceptor which exhibits peak in differential coefficient to exposure curve KONICA CORPORATION (JP) 1993-10-12 US disclosed
EP-0532054-A1 Process for preparing alpha,alpha-disubstituted aromatics and heteroaromatics as cognition enhancers THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1993-03-17 EP disclosed
US-4370398-A Electrostatic copying process RICOH COMPANY, LTD. (JP) 1983-01-25 US disclosed
US-4366080-A Liquid crystal display element TOKYO SHIBAURA DENKI KABUSHIKI KAISHA (JP) 1982-12-28 US disclosed
US-4361638-A AMORPHOUS SILICON AND CARBON BASE MATERIAL DOPED WITH HYDROGEN AND FLUORINE FUJI PHOTO FILM CO., LTD. (JP) 1982-11-30 US disclosed
US-4352876-A CHARGE GENERATION AND CHARGE TRANSPORT LAYERS HITACHI, LTD. (JP) 1982-10-05 US disclosed
JP-S5782846-A MAGNETIC TONER RICOH CO LTD 1982-05-24 JP disclosed
EP-0037902-A1 Liquid crystal display element KABUSHIKI KAISHA TOSHIBA (JP) 1981-10-21 EP disclosed
US-4106934-A ELECTROGRAPHY EASTMAN KODAK COMPANY (US) 1978-08-15 US disclosed
US-4033769-A Persistent photoconductive compositions XEROX CORPORATION (US) 1977-07-05 US disclosed
US-3961954-A Acid sensitized charge transfer complexes and cyclic electrostatographic imaging XEROX CORPORATION (US) 1976-06-08 US disclosed
US-3932025-A Imaging system XEROX CORPORATION (US) 1976-01-13 US disclosed