Ethylenediamine

Ethylenediamine

SCHEMBL769088

Cc1ccc(S(=O)(=O)O)cc1.NCCN

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Ethylenediamine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
TSHR P16473 2/20 0.52
CA12 O43570 1/20 0.52
CA3 P07451 1/20 0.52
CA6 P23280 1/20 0.52
CA5A P35218 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
CA5B Q9Y2D0 1/20 0.52
NT5E P21589 1/20 0.52
CYP2C9 P11712 2/20 0.51
CYP1A2 P05177 1/20 0.51
LMNA P02545 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
KDM4E B2RXH2 1/20 0.50
MAPT P10636 1/20 0.50
HTT P42858 1/20 0.50
TDP1 Q9NUW8 1/20 0.50

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
Ethylenediamine SCHEMBL11226382 1.00 ALDH1A1 (0.52) ALDH1A1CA1CA2TSHRCA12
Putrescine SCHEMBL10842435 0.92 CYP2C9 (0.49) ALDH1A1CA1CA2TSHRCA12
SCHEMBL11546476 0.92 CYP2C9 (0.49) ALDH1A1CA1CA2TSHRCA12
Propylamine SCHEMBL6911004 0.92 CYP2C9 (0.49) ALDH1A1CA1CA2TSHRCA12
Monoethanolamine SCHEMBL1274858 0.92 CYP2C9 (0.49) ALDH1A1CA1CA2TSHRCA12
Ethylamine SCHEMBL3808345 0.91 ALDH1A1 (0.52) ALDH1A1CA1CA2TSHRCA12
Acetic Acid SCHEMBL29405595 0.91 CYP2C9 (0.49) ALDH1A1CA1CA2TSHRCA12
SCHEMBL8981419 0.90 CYP2C9 (0.48) ALDH1A1CA1CA2TSHRCA12
Cysteamine SCHEMBL714691 0.90 CYP2C9 (0.48) ALDH1A1CA1CA2TSHRCA12
Hydrazine SCHEMBL8861759 0.89 ALDH1A1 (0.58) ALDH1A1CA1CA2TSHRCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106433994-B Method for preparing biodiesel by polymerizing ionic liquid catalysis 河北工程大学 2021-04-02 CN claimed
EP-0379483-B1 1,2,3,4,10,14b-HEXAHYDRODIBENZO c,f]PYRAZINO- 1,2-a]AZEPINO DERIVATIVES UNIV MONASH (AU) 1999-12-29 EP claimed
JP-11071373-A None JP disclosed
CN-106433994-B Method for preparing biodiesel by polymerizing ionic liquid catalysis 河北工程大学 2021-04-02 CN disclosed
EP-2834233-B1 NEW ALPHA2 ADRENOCEPTOR AGONISTS ORION CORP (FI) 2018-04-25 EP disclosed
US-9249127-B2 Alpha2 adrenoceptor agonists ORION CORPORATION (FI) 2016-02-02 US disclosed
US-20150065550-A1 NEW ALPHA2 ADRENOCEPTOR AGONISTS ORION CORPORATION (FI) 2015-03-05 US disclosed
US-20120208019-A1 CARBON FIBER BUNDLE AND METHOD FOR PRODUCING SAME MITSUBISHI RAYON CO., LTD. (JP) 2012-08-16 US disclosed
EP-2476799-A1 CARBON FIBER BUNDLE AND METHOD FOR PRODUCING SAME Mitsubishi Rayon Co., Ltd. (JP) 2012-07-18 EP disclosed
US-20120071506-A1 METHODS FOR TREATING CNS DISORDERS WITH BICYCLO-SUBSTITUTED 2-IMIDAZOLINE AND 2-IMIDAZOLES GALLEY GUIDO (DE) 2012-03-22 US disclosed
US-7875645-B2 2-(2-cyclopropyl-benzyl)-4,5-dihydro-1H-imidazole; depression, anxiety disorders, bipolar disorder, attention deficit hyperactivity disorder, stress-related disorders, psychotic disorders such as schizophrenia, neurological diseases such as Parkinson's disease, neurodegenerative disorders HOFFMAN-LA ROCHE INC. (US) 2011-01-25 US disclosed
US-4250186-A ADMINISTERING A 2-(SUBSTITUTED PHENYL-IMINO)-IMIDAZOLIDINE COMPOUND BOEHRINGER INGELHEIM GMBH (DE) 1981-02-10 US disclosed
US-4136188-A TREATMENT OF DIABETES WITH 2-SUBSTITUTED-1,3-DIAZACYCLIC COMPOUNDS DAIICHI SEIYAKU CO., LTD. (JP) 1979-01-23 US disclosed
US-4081544-A ANTIDEPRESSANTS SCHERING CORPORATION (US) 1978-03-28 US disclosed
US-4065569-A Use of 2-imidazolines as hypoglycemic agents SCHERING CORPORATION (US) 1977-12-27 US disclosed
US-4018765-A HETEROCYCLIC HOFFMANN-LA ROCHE INC. (US) 1977-04-19 US disclosed
US-3992403-A 2-Imidazolines and their use as hypoglycemic agents SCHERING CORPORATION (US) 1976-11-16 US disclosed
US-3949076-A GASTRIC ACID SECRETION INHIBITION SMITHKLINE CORPORATION (US) 1976-04-06 US disclosed
US-3932431-A ANTIDEPRESSANT, ANTIINFLAMMATORY SCHERING CORPORATION (US) 1976-01-13 US disclosed
US-3931217-A ANALGESIC, PSYCHOSTIMULANT HOFFMANN-LA ROCHE INC. (US) 1976-01-06 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150065550-A1 NEW ALPHA2 ADRENOCEPTOR AGONISTS ADRA2A, ADRB2, ADRA2C ALDH1A1 465/4885CA1 4190/4885CA2 1765/4885
US-20120071506-A1 METHODS FOR TREATING CNS DISORDERS WITH BICYCLO-SUBSTITUTED 2-IMIDAZOLINE AND 2-IMIDAZOLES CRY1, PER2, GPR119 ALDH1A1 1716/4885CA1 4534/4885CA2 2575/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.