Ethylenediamine

Ethylenediamine

SCHEMBL8996794

COC(=O)c1ccc(C(=O)Cl)cc1.NCCN

nearest known ligand 0.61

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
LOXL2 Q9Y4K0 2/20 0.61
MAPT P10636 3/20 0.58
CA1 P00915 3/20 0.53
CA2 P00918 3/20 0.53
CA12 O43570 2/20 0.53
CA9 Q16790 2/20 0.53
CA14 Q9ULX7 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
CA7 P43166 1/20 0.53
TSHR P16473 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
RAB9A P51151 1/20 0.50
ALDH1A1 P00352 1/20 0.48
CYP4A11 Q02928 2/20 0.47
STS P08842 1/20 0.47
DPP4 P27487 2/20 0.47
HPGD P15428 1/20 0.46
CYP4F2 P78329 1/20 0.46

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
SCHEMBL19543 0.90 CA1 (0.64) LOXL2MAPTCA1CA2CA12
SCHEMBL23600 0.78 CA1 (0.80) LOXL2MAPTCA1CA2CA12
SCHEMBL28993944 0.78 CA1 (0.80) LOXL2MAPTCA1CA2CA12
SCHEMBL443043 0.78 MAPT (0.79) LOXL2MAPTCA1CA2TDP1
SCHEMBL230590 0.77 LOXL2 (0.72) LOXL2MAPTCA1CA2CA12
Urea SCHEMBL20838278 0.77 CA1 (0.70) LOXL2MAPTCA1CA2CA12
Hydrochloric Acid SCHEMBL442778 0.77 MAPT (0.77) LOXL2MAPTCA1CA2TDP1
SCHEMBL27846423 0.77 NPC1 (0.71) MAPTTSHRMEN1KMT2ARAB9A
SCHEMBL8683825 0.77 MAPT (0.77) LOXL2MAPTCA1CA2TDP1
Water SCHEMBL22720573 0.76 CA1 (0.76) LOXL2MAPTCA1CA2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0724568-A1 AMIDO PEROXYCARBOXYLIC ACIDS FOR BLEACHING UNILEVER PLC (GB) 1996-08-07 EP disclosed
WO-1995003275-A1 AMIDO PEROXYCARBOXYLIC ACIDS FOR BLEACHING UNILEVER N.V. (NL) 1995-02-02 WO disclosed