SCHEMBL3338115

SCHEMBL3338115

NN=NCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 8/20 0.45
GRIN1 Q05586 6/20 0.45
NOS2 P35228 1/20 0.45
TRPA1 O75762 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP3A4 P08684 1/20 0.44
MIF P14174 1/20 0.44
HPGD P15428 1/20 0.44
LOXL2 Q9Y4K0 2/20 0.43
CALM1 P0DP23 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA5A P35218 1/20 0.41
CA9 Q16790 1/20 0.41
GRIN2D O15399 2/20 0.41
GRIN3B O60391 2/20 0.41
GRIN2A Q12879 2/20 0.41
GRIN2C Q14957 2/20 0.41
GRIN3A Q8TCU5 2/20 0.41
SIGMAR1 Q99720 2/20 0.41

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
SCHEMBL7546087 1.00 GRIN2B (0.45) GRIN2BGRIN1NOS2TRPA1ALDH1A1
Nitrogen SCHEMBL4074240 0.95 GRIN2B (0.42) GRIN2BGRIN1NOS2TRPA1ALDH1A1
Alcohol SCHEMBL3173331 0.89 NOS2 (0.47) GRIN2BGRIN1NOS2TRPA1ALDH1A1
Butanedione SCHEMBL5315580 0.85 NOS2 (0.48) GRIN2BGRIN1NOS2ALDH1A1
SCHEMBL15506263 0.83 ALDH1A1 (0.52) GRIN2BGRIN1NOS2TRPA1ALDH1A1
SCHEMBL19611522 0.83 ALDH1A1 (0.52) GRIN2BGRIN1NOS2TRPA1ALDH1A1
SCHEMBL17178869 0.83 ALDH1A1 (0.52) GRIN2BGRIN1NOS2TRPA1ALDH1A1
SCHEMBL15800695 0.80 GRIN1 (0.48) GRIN2BGRIN1TRPA1ALDH1A1CYP3A4
SCHEMBL1155001 0.78
SCHEMBL18752949 0.77 HRH3 (0.48) NOS2LOXL2CA1CA2CA5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114874067-B Process for synthesizing methyl fluorobenzene by adopting hydrogen fluoride diazo pyrolysis 东至德泰精细化工有限公司 2024-04-16 CN claimed
CN-114755316-B Method for screening dangerous substances in food contact material and application 广州质量监督检测研究院 2024-02-27 CN claimed
CN-114874067-A Process for synthesizing methyl fluorobenzene by adopting hydrogen fluoride diazo pyrolysis method 东至德泰精细化工有限公司 2022-08-09 CN claimed
CN-114874067-B Process for synthesizing methyl fluorobenzene by adopting hydrogen fluoride diazo pyrolysis 东至德泰精细化工有限公司 2024-04-16 CN disclosed
CN-114755316-B Method for screening dangerous substances in food contact material and application 广州质量监督检测研究院 2024-02-27 CN disclosed
CN-114874067-A Process for synthesizing methyl fluorobenzene by adopting hydrogen fluoride diazo pyrolysis method 东至德泰精细化工有限公司 2022-08-09 CN disclosed
EP-2663566-B1 5-([1,2,3]TRIAZOLE-4-YL)-7H-PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2015-06-03 EP disclosed
US-20130011855-A1 Methods for Determining Aged Based Accumulation of Senescent Cells Using Senescense Specific DNA Damage Markers ADAMI GUY R (US) 2013-01-10 US disclosed
US-20100086941-A1 Methods for determining aged based accumulation of senescent cells using senescence specific DNA damage markers ADAMI GUY R 2010-04-08 US disclosed
CN-100412104-C Conductive polymer and solid electrolytic capacitor using same TAYCA CORP (JP) 2008-08-20 CN disclosed
CN-1832978-A Conductive polymer and solid electrolytic capacitor using same TAYCA CORP (JP) 2006-09-13 CN disclosed
US-4137301-A Method of inhibiting skin irritation CINCINNATI MILACRON, INC. (US) 1979-01-30 US disclosed
US-4096139-A Azocoumarinic-type dyes for the disperse dyeing of textile fabrics MONTEDISON S.P.A. (IT) 1978-06-20 US disclosed
US-4089850-A FOR METAL MODIFIED POLYPROPYLENE AMERICAN COLOR & CHEMICAL CORPORATION (US) 1978-05-16 US disclosed
US-4076799-A POISON IVY, AMINE SALT OF DIMERIZED ACID CINCINNATI MILACRON, INC. (US) 1978-02-28 US disclosed
US-4066388-A DISAZO DYES DERIVED FROM 1-ACYL-2,4-DIHYDROXYBENZENES AND METALLIZED POLYOLEFIN DYED THEREWITH AMERICAN COLOR & CHEMICAL CORPORATION (US) 1978-01-03 US disclosed
US-4018751-A Continuous process for aminoazobenzene AMERICAN CYANAMID COMPANY (US) 1977-04-19 US disclosed
US-4012193-A Bisazomethine dyes for metal-modified polyolefins AMERICAN COLOR & CHEMICAL CORPORATION (US) 1977-03-15 US disclosed
US-4000985-A DISAZO MORTON-NORWICH PRODUCTS, INC. (US) 1977-01-04 US disclosed
US-3954967-A Method of producing microcolloidal aqueous emulsions of unsaturated organic insecticidal compounds VANGUARD CHEMICAL COMPANY, INC. (US) 1976-05-04 US disclosed