Known targets — ChEMBL curated mechanism
ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO
The experimentally established mechanism targets of Nornitrogen Mustard. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Nornitrogen Mustard SCHEMBL24674 | 0.95 | — | — | |
| Nornitrogen Mustard SCHEMBL1332213 | 0.91 | — | — | |
| SCHEMBL1311496 | 0.91 | LMNA (0.38) | — | |
| Nornitrogen Mustard SCHEMBL246133 | 0.91 | — | — | |
| Nornitrogen Mustard SCHEMBL27512643 | 0.91 | — | — | |
| Nornitrogen Mustard SCHEMBL14636056 | 0.87 | — | — | |
| Hydrochloric Acid SCHEMBL9008650 | 0.87 | KDM4E (0.41) | — | |
| SCHEMBL3207850 | 0.81 | — | — | |
| SCHEMBL11080594 | 0.81 | CYP1A2 (0.42) | — | |
| SCHEMBL28254663 | 0.78 | — | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8785625-B2 | Compound having heterocyclic ring | RESEARCH FOUNDATION ITSUU LABORATORY (JP) | 2014-07-22 | — | — | US | disclosed |
| EP-2009012-B1 | NOVEL COMPOUND HAVING HETEROCYCLIC RING | RES FOUND ITSUU LAB (JP) | 2014-06-25 | — | — | EP | disclosed |
| EP-2669283-A1 | Oxazolidinone derivative having 7-membered hetero ring | Shionogi&Co., Ltd. (JP) | 2013-12-04 | — | — | EP | disclosed |
| US-8530646-B2 | Oxazolidinone derivative having 7-membered hetero ring | RESEARCH FOUNDATION ITSUU LABORATORY (JP) | 2013-09-10 | — | — | US | disclosed |
| US-20120208997-A1 | NOVEL COMPOUND HAVING HETEROCYCLIC RING | SUZUKI HIDEYUKI (JP) | 2012-08-16 | — | — | US | disclosed |
| US-8148362-B2 | Compound having heterocyclic ring | RESEARCH FOUNDATION ITSUU LABORATORY (JP) | 2012-04-03 | — | — | US | disclosed |
| US-20100256355-A1 | OXAZOLIDINONE DERIVATIVE HAVING 7-MEMBERED HETERO RING | Research Foundation ITSUU Laboratory and Shionogi & Co., Ltd. | 2010-10-07 | — | — | US | disclosed |
| EP-2233484-A2 | Oxazolidinone derivatives having a 7-membered heterocyclic ring | Research Foundation Itsuu Laboratory (JP) | 2010-09-29 | — | — | EP | disclosed |
| EP-2208729-A1 | OXAZOLIDINONE DERIVATIVE HAVING 7-MEMBERED HETERO RING | Research Foundation Itsuu Laboratory (JP) | 2010-07-21 | — | — | EP | disclosed |
| EP-2181994-A1 | Antimicrobial compounds | Research Foundation Itsuu Laboratory (JP) | 2010-05-05 | — | — | EP | disclosed |
| EP-2181993-A1 | Antimicrobial oxazolidinone derivatives | Research Foundation Itsuu Laboratory (JP) | 2010-05-05 | — | — | EP | disclosed |
| US-20090299059-A1 | Novel Compound Having Heterocyclic Ring | RESEARCH FOUNDATION ITSUU LABORATORY (JP) | 2009-12-03 | — | — | US | disclosed |
| EP-2009012-A1 | NOVEL COMPOUND HAVING HETEROCYCLIC RING | Research Foundation Itsuu Laboratory (JP) | 2008-12-31 | — | — | EP | disclosed |