SCHEMBL427407

SCHEMBL427407

O=[N+]([O-])c1ccc2c(c1)NCC2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 5/20 0.58
ADRA2A P08913 3/20 0.58
MAPT P10636 5/20 0.53
ALDH1A1 P00352 1/20 0.53
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
CTSL P07711 1/20 0.45
LMNA P02545 3/20 0.44
HTT P42858 1/20 0.44
NCOA1 Q15788 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
NCOA3 Q9Y6Q9 1/20 0.44
GFER P55789 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TDP2 O95551 1/20 0.44
HTR1A P08908 1/20 0.44
ADRA2B P18089 2/20 0.43
ADRA2C P18825 2/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42

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
SCHEMBL31378863 1.00 PNMT (0.58) PNMTADRA2AMAPTALDH1A1RAB9A
Chloroform SCHEMBL7695703 0.94 PNMT (0.53) PNMTADRA2AMAPTALDH1A1RAB9A
SCHEMBL27632113 0.92 PNMT (0.51) PNMTADRA2AMAPTALDH1A1RAB9A
Acetaldehyde SCHEMBL27778138 0.92 PNMT (0.51) PNMTADRA2AMAPTALDH1A1RAB9A
SCHEMBL395008 0.90 PNMT (0.51) PNMTADRA2AMAPTALDH1A1RAB9A
SCHEMBL29581896 0.90 PNMT (0.51) PNMTADRA2AMAPTALDH1A1RAB9A
SCHEMBL397538 0.88 PNMT (0.50) PNMTADRA2AMAPTALDH1A1RAB9A
Hydrogen Sulfide SCHEMBL28330489 0.88 PNMT (0.50) PNMTADRA2AMAPTALDH1A1RAB9A
SCHEMBL200716 0.86 PNMT (0.58) PNMTADRA2AMAPTALDH1A1RAB9A
Tert-Butyl Formate SCHEMBL27760484 0.85 PNMT (0.45) PNMTADRA2AMAPTALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115626889-B Organic chemical conversion method for oxidative dehydrogenation of nitrogen-containing heterocyclic compound 南京工业大学 2024-04-30 CN claimed
CN-109928972-A A kind of matrine derivative and its application in drug 中国医学科学院药用植物研究所 2019-06-25 CN claimed
CN-105623642-B A kind of novel electrochromic material P (6NIIn co EDOT) and preparation method thereof 青岛科技大学 2017-12-26 CN claimed
CN-106232834-A Sample preparation methods 牛津纳米孔技术公司 2016-12-14 CN claimed
CN-105705656-A Method of producing a composite material 牛津纳米孔技术公司 2016-06-22 CN claimed
CN-105623642-A Novel electrochromic material P(6NIIn-co-EDOT) and preparation method thereof UNIV QINGDAO SCIENCE & TECHNOLOGY 2016-06-01 CN claimed
CN-103724251-B STAT3 (Signal Transducer and Activator of Transcription 3)-targeting small molecular compound as well as preparation method and application thereof UNIV FUZHOU 2015-07-22 CN claimed
EP-2486115-B1 ELECTRORHEOLOGIC FLUID COMPRISING ORGANIC SUBSTANCES THAT CAN BE DOPED AND USE THEREOF FRAUNHOFER GES FORSCHUNG (DE) 2015-05-20 EP claimed
US-8629289-B2 Method for the preparation of 1-acetyl-6-amino-3,3-dimethyl-2,3-dihydroindole AMGEN INC. (US) 2014-01-14 US claimed
EP-2486115-A1 ELECTRORHEOLOGICAL FLUID COMPRISING ORGANIC DOPANTS, AND USE THEREOF Fraunhofer Gesellschaft zur Förderung der angewandten Wissenschaft E.V. (DE) 2012-08-15 EP claimed
US-6211410-B1 PARTIALLY HYDROGENATING ORGANIC NITRO COMPOUND IN PRESENCE OF ORGANIC BASE OR AMMONIA, TRIVALENT PHOSPHORUS COMPOUND AND HYDROGENATION CATALYST Consortium für elektrochemische Industrie GmbH (DE) 2001-04-03 US claimed
EP-0743574-B1 Migration imaging members XEROX CORP (US) 2000-12-27 EP claimed
EP-1037873-A1 METHOD FOR PRODUCING ORGANIC HYDROXYLAMINES Consortium für elektrochemische Industrie GmbH (DE) 2000-09-27 EP claimed
EP-0743573-B1 Method for obtaining image contrast migration imaging members XEROX CORP (US) 2000-09-06 EP claimed
WO-1999028289-A1 METHOD FOR PRODUCING ORGANIC HYDROXYLAMINES Consortium für elektrochemische Industrie GmbH (DE) 1999-06-10 WO claimed
EP-0743573-A2 Method for obtaining image contrast migration imaging members XEROX CORPORATION (US) 1996-11-20 EP claimed
EP-0743574-A2 Migration imaging members XEROX CORPORATION (US) 1996-11-20 EP claimed
US-5563014-A SOFTENABLE LAYER CONTAINIG PHOTOSENSITIVE MARKING MATERIAL; TRANSPARENTIZING AGENT XEROX CORPORATION (US) 1996-10-08 US claimed
US-5514505-A SELECTIVE TRANSPARENTIZATION OF PHOTOSENSITIVE MIGRATION MARKING PARTICLES EMBEDDED NEAR THE SURFACE OF A SOFTENABLE LAYER SUPPORTED BY AN ELECTROCONDUCTIVE SUBSTRATE XEROX CORPORATION (US) 1996-05-07 US claimed
US-4013404-A Method of dyeing hair with indolines, indoles and indazoles AMERICAN CYANAMID COMPANY (US) 1977-03-22 US claimed