SCHEMBL944031

SCHEMBL944031

O=NCCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 3/20 0.52
CYP2A6 P11509 2/20 0.52
MIF P14174 2/20 0.52
TRPA1 O75762 1/20 0.52
CYP2E1 P05181 1/20 0.52
CYP2A13 Q16696 1/20 0.52
EPAS1 Q99814 1/20 0.52
ALDH1A1 P00352 2/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48
ALOX12 P18054 1/20 0.48
CASP1 P29466 1/20 0.48
HSD17B10 Q99714 1/20 0.48
GRIN1 Q05586 1/20 0.47
GRIN2B Q13224 1/20 0.47
KEAP1 Q14145 1/20 0.46
TDP1 Q9NUW8 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
TAAR1 Q96RJ0 2/20 0.46
HTR2A P28223 1/20 0.46

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
SCHEMBL3465495 0.85 HTR3A (0.57) MIFTDP1SMN1; SMN2HTR2AADRA1A
SCHEMBL1523403 0.83 MIF (0.57) MIFSMN1; SMN2ADRA1ASLC6A3HTR3A
SCHEMBL29152182 0.81 NAAA (0.58) MIFHTR3AMAPTHDAC1HDAC2
SCHEMBL21694457 0.81 MIF (0.55) MIFSMN1; SMN2ADRA1ASLC6A3HTR3A
Hydrochloric Acid SCHEMBL28503124 0.81 MIF (0.55) MIFSMN1; SMN2ADRA1ASLC6A3HTR3A
SCHEMBL5035695 0.81 MIF (0.55) MIFSMN1; SMN2ADRA1ASLC6A3HTR3A
SCHEMBL10456657 0.81 MIF (0.55) MIFSMN1; SMN2ADRA1ASLC6A3HTR3A
SCHEMBL721250 0.78 HIF1A (0.56) HIF1ACYP2A6MIFTRPA1CYP2E1
SCHEMBL6335562 0.78 HIF1A (0.56) HIF1ACYP2A6MIFTRPA1CYP2E1
SCHEMBL9421220 0.76 MAOA (0.56) CYP2A6ALDH1A1HPGDALOX15ALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200093135-A1 SYSTEMS FOR PEST ELIMINATION, SUPPRESSION OR CONTROL EMEKATECH LLC (US) 2020-03-26 US claimed
US-20170055532-A1 SYSTEMS FOR PEST ELIMINATION, SUPPRESSION OR CONTROL Emekatech, LLC. (US) 2017-03-02 US claimed
EP-3110253-A1 SYSTEMS FOR PEST ELIMINATION, SUPPRESSION OR CONTROL Emekatech, LLC (US) 2017-01-04 EP claimed
CN-106231908-A System for pest extermination, inhibition or control 埃梅卡泰克有限责任公司 2016-12-14 CN claimed
WO-2015127311-A1 SYSTEMS FOR PEST ELIMINATION, SUPPRESSION OR CONTROL EMEKATECH, LLC (US) 2015-08-27 WO claimed
US-4709016-A Molecular analytical release tags and their use in chemical analysis NORTHEASTERN UNIVERSITY (US) 1987-11-24 US claimed
US-4650750-A Method of chemical analysis employing molecular release tag compounds GIESE ROGER W (US) 1987-03-17 US claimed
CN-117467368-A Photovoltaic adhesive film capable of efficiently converting light, preparation method thereof and photovoltaic module 浙江祥邦永晟新能源有限公司 2024-01-30 CN disclosed
CN-117042474-A Photoelectric device and application thereof, photovoltaic module and photovoltaic system 天合光能股份有限公司 2023-11-10 CN disclosed
CN-107019803-B Pegylated opioids with low addictive effect 北京键凯科技股份有限公司 2020-09-15 CN disclosed
US-20200093135-A1 SYSTEMS FOR PEST ELIMINATION, SUPPRESSION OR CONTROL EMEKATECH LLC (US) 2020-03-26 US disclosed
EP-2740723-B1 SULPHAMIDE DERIVATIVE HAVING AN ADAMANTYL GROUP AND A PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KOREA RES INST CHEMICAL TECH (KR) 2017-05-10 EP disclosed
US-20170055532-A1 SYSTEMS FOR PEST ELIMINATION, SUPPRESSION OR CONTROL Emekatech, LLC. (US) 2017-03-02 US disclosed
EP-1732919-A1 SUBSTITUTED THIOPHENE DERIVATIVES AS ANTI-CANCER AGENTS CHIRON CORPORATION (US) 2006-12-20 EP disclosed
EP-1717221-A1 PROCESSES FOR PRODUCTION OF ALPHA-AMINOOXYKETONES AND ALPHA-HYDROXYKETONES Japan Science and Technology Agency (JP) 2006-11-02 EP disclosed
WO-2005095386-A1 SUBSTITUTED THIOPHENE DERIVATIVES AS ANTI-CANCER AGENTS CHIRON CORPORATION (US) 2005-10-13 WO disclosed
WO-2005090294-A2 PROCESS OF MAKING α-AMINOOXYKETONE/α-AMINOOXYALDEHYDE AND α-HYDROXYKETONE/α-HYDROXYALDEHYDE COMPOUNDS AND A PROCESS OF MAKING REACTION PRODUCTS FROM CYCLIC α,ß-UNSATURATED KETONE SUBSTRATES AND NITROSO SUBSTRATES JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2005-09-29 WO disclosed
WO-2005028451-A1 TETRAHYDROQUINOXALINES AND THEIR USE AS M2 ACETYLCHOLINE RECEPTOR AGONISTS BAYER HEALTHCARE AG (DE) 2005-03-31 WO disclosed
US-6762052-B1 THE ENZYMES ARE USEFUL IN METABOLISM STUDIES, IN SCREENING OF COMPOUNDS FOR BIOLOGICAL OR PHARMACOLOGICAL ACTIVITY, AS WELL AS SERVING AS A BIO-INDICATOR OF DISEASE STATES OR SUSCEPTIBILITY TO DISEASE STATES CASHMAN JOHN R 2004-07-13 US disclosed
WO-1995004072-A1 PEPTOID ALPHA-1 ADRENERGIC RECEPTOR LIGANDS CHIRON CORPORATION (US) 1995-02-09 WO disclosed