Ethylenediamine

Ethylenediamine

SCHEMBL11090194

NCCN.NCCN.NCCN.O=P(O)(O)CCCCP(=O)(O)O.O=P(O)(O)CCCCP(=O)(O)O.O=P(O)(O)CCCCP(=O)(O)O.[KH].[KH].[KH].[KH].[KH].[KH]

nearest known ligand 0.74

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADORA1ADORA2AADORA2BADORA3PDE3APDE3BPDE4APDE4BPDE4CPDE4D

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 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.74
BLM P54132 2/20 0.74
CYP3A4 P08684 1/20 0.74
NFKB1 P19838 1/20 0.74
PMP22 Q01453 1/20 0.74
ALDH1A1 P00352 3/20 0.63
TYMS P04818 1/20 0.61
LPAR3 Q9UBY5 3/20 0.52
LPAR2 Q9HBW0 1/20 0.52
TDP1 Q9NUW8 1/20 0.46
GABBR2 O75899 1/20 0.46
CYP1A2 P05177 1/20 0.46
TSHR P16473 1/20 0.46
THPO P40225 1/20 0.46
GABBR1 Q9UBS5 1/20 0.46
BBOX1 O75936 2/20 0.44
ENPEP Q07075 1/20 0.43

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 SCHEMBL69119 0.97 LMNA (0.78) LMNABLMCYP3A4NFKB1PMP22
Ethylenediamine SCHEMBL4154009 0.94 LMNA (0.74) LMNABLMCYP3A4NFKB1PMP22
Ethylenediamine SCHEMBL15053407 0.94 LMNA (0.74) LMNABLMCYP3A4NFKB1PMP22
Ethylenediamine SCHEMBL5157252 0.94 LMNA (0.74) LMNABLMCYP3A4NFKB1PMP22
Ethylenediamine SCHEMBL10933099 0.91 LMNA (0.78) LMNABLMCYP3A4NFKB1PMP22
SCHEMBL8630078 0.88 LMNA (0.83) LMNABLMCYP3A4NFKB1PMP22
Putrescine SCHEMBL16241736 0.88 LMNA (0.83) LMNABLMCYP3A4NFKB1PMP22
SCHEMBL745120 0.88
SCHEMBL11095560 0.87 TYMS (0.79) LMNABLMCYP3A4NFKB1PMP22
SCHEMBL4524881 0.86 LMNA (0.79) LMNABLMCYP3A4NFKB1PMP22

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111484520-A Ethylene diamine tetramethylene aluminum phosphonate flame retardant and preparation method and application thereof 金发科技股份有限公司 2020-08-04 CN claimed
CN-111484520-A Ethylene diamine tetramethylene aluminum phosphonate flame retardant and preparation method and application thereof 金发科技股份有限公司 2020-08-04 CN disclosed
CN-104846674-A High-efficiency textile printing and dyeing auxiliary QINGDAO DEXI TUOCHUANG HIGH AND NEW TECHNOLOGY CO LTD 2015-08-19 CN disclosed
US-4430369-A ALUMINOSILICATE FIBERS, CERAMICS, MATS, ALKALI STABILIZATION, AMINE-PHOSPHONIC OR ALIPHATIC ACID CONDENSATION PRODUCT NALCO CHEMICAL COMPANY (US) 1984-02-07 US disclosed