Ethylenediamine

Ethylenediamine

SCHEMBL3074075

NCCN.Nc1ccccc1C=O

nearest known ligand 0.52

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 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
THRB P10828 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
LMNA P02545 2/20 0.52
BLM P54132 1/20 0.52
ALDH1A1 P00352 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
HPGD P15428 2/20 0.48
HTT P42858 1/20 0.48
TSHR P16473 2/20 0.43
TRIM24 O15164 1/20 0.43
TRIM33 Q9UPN9 1/20 0.43
CYP3A4 P08684 2/20 0.39
ALOX15 P16050 2/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ERN1 O75460 2/20 0.38
TRPM2 O94759 1/20 0.38

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 SCHEMBL10866830 1.00 KMT2A (0.52) KMT2AMEN1THRBTDP1LMNA
Ethylenediamine SCHEMBL4444343 0.98 KMT2A (0.50) KMT2AMEN1THRBTDP1LMNA
SCHEMBL29776700 0.91
SCHEMBL25505 0.91
SCHEMBL29365160 0.91
Bromide SCHEMBL28345884 0.88 LMNA (0.60) KMT2AMEN1THRBTDP1LMNA
Hydrochloric Acid SCHEMBL29953565 0.88 LMNA (0.60) KMT2AMEN1THRBTDP1LMNA
SCHEMBL28156648 0.88 LMNA (0.60) KMT2AMEN1THRBTDP1LMNA
Iodide SCHEMBL27959040 0.88 LMNA (0.60) KMT2AMEN1THRBTDP1LMNA
Hydrochloric Acid SCHEMBL10526696 0.88 LMNA (0.60) KMT2AMEN1THRBTDP1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10558089-B2 Photoalignment composition ROLIC AG (CH) 2020-02-11 US disclosed
EP-2222815-B1 PHOTOALIGNMENT COMPOSITION ROLIC TECH AG (CH) 2019-05-29 EP disclosed
US-20170255064-A1 PHOTOALIGNMENT COMPOSITION ROLIC AG (CH) 2017-09-07 US disclosed
US-9715144-B2 Photoalignment composition ROLIC AG (CH) 2017-07-25 US disclosed
US-20100266814-A1 PHOTOALIGNMENT COMPOSITION ROLIC AG (CH) 2010-10-21 US disclosed