Ethylenediamine

Ethylenediamine

SCHEMBL6472964

NCCN.O=C([O-])C(c1ccccc1O)c1ccccc1O.O=C([O-])C(c1ccccc1O)c1ccccc1O.O=C([O-])C(c1ccccc1O)c1ccccc1O.O=C([O-])C(c1ccccc1O)c1ccccc1O.O=C([O-])C(c1ccccc1O)c1ccccc1O.[Cu+2].[Cu+2].[Na+]

nearest known ligand 0.40

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 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
TSHR P16473 2/20 0.39
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
PTPN9 P43378 1/20 0.38
POLB P06746 3/20 0.38
ALPL P05186 1/20 0.38
ALPG P10696 1/20 0.38
TAAR1 Q96RJ0 1/20 0.36
MAPT P10636 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GAA P10253 1/20 0.33
AKR1B1 P15121 1/20 0.32
PPARG P37231 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31

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 SCHEMBL7181567 1.00 HPGD (0.40) HPGDKDM4EALDH1A1TSHRGABRA1
Ethylenediamine SCHEMBL7182048 1.00 HPGD (0.40) HPGDKDM4EALDH1A1TSHRGABRA1
Ethylenediamine SCHEMBL6243331 0.98 TSHR (0.40) HPGDKDM4EALDH1A1TSHRGABRA1
Ethylenediamine SCHEMBL5159409 0.95 TSHR (0.40) HPGDKDM4EALDH1A1TSHRGABRA1
Ethylenediamine SCHEMBL544736 0.80 TSHR (0.42) HPGDKDM4EALDH1A1TSHRGABRA1
Ethylenediamine SCHEMBL5159417 0.79 TSHR (0.41) HPGDKDM4EALDH1A1TSHRGABRA1
Diphenylacetic Acid SCHEMBL28650266 0.74 CTSD (0.47) POLBALPLALPGTAAR1TDP1
SCHEMBL7511207 0.72 HPGD (0.47) HPGDKDM4EALDH1A1TSHRGABRA1
SCHEMBL31107078 0.72 HPGD (0.47) HPGDKDM4EALDH1A1TSHRGABRA1
SCHEMBL1161818 0.71 GABRA1 (0.48) HPGDKDM4EALDH1A1TSHRGABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005027617-A2 FERTILIZER COMPOSITIONS FOR PLANTS CONTAINING PHOSPHATE AND PHOSPHONATE SALTS, METAL CHELATES, AND DERIVATIVES THEREOF FOLIAR NUTRIENTS, INC. (US) 2005-03-31 WO disclosed
WO-2001015529-A1 FUNGICIDAL AND BACTERICIDAL COMPOSITIONS FOR PLANTS CONTAINING COMPOUNDS IN THE FORM OF HEAVY METAL CHELATES FOLIAR NUTRIENTS, INC. (US) 2001-03-08 WO disclosed
US-6139879-A IN AQUEOUS SOLUTION FOLIAR NUTRIENTS, INC. (US) 2000-10-31 US disclosed