Ethylenediamine

Ethylenediamine

SCHEMBL7559944

NCCN.c1ccc(B(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.56

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
KDM4E B2RXH2 2/20 0.56
MEN1 O00255 1/20 0.56
TRPM2 O94759 1/20 0.56
ALDH1A1 P00352 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
THRB P10828 1/20 0.56
HPGD P15428 1/20 0.56
ALOX15 P16050 1/20 0.56
TSHR P16473 1/20 0.56
ALOX12 P18054 1/20 0.56
MAPK1 P28482 1/20 0.56
KMT2A Q03164 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
TAAR1 Q96RJ0 3/20 0.44
HTR2A P28223 4/20 0.43
LOXL2 Q9Y4K0 2/20 0.43
CYP2A6 P11509 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ORAI1 Q96D31 2/20 0.41

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
Propylamine SCHEMBL9060342 0.87 KDM4E (0.45) KDM4EMEN1TRPM2ALDH1A1CYP1A2
SCHEMBL8081505 0.87 MAOA (0.50) KDM4EMEN1TRPM2ALDH1A1CYP1A2
Monoethanolamine SCHEMBL8849863 0.87 TSHR (0.45) KDM4EMEN1TRPM2ALDH1A1CYP1A2
SCHEMBL125450 0.84 TRPV6 (0.53) KDM4EMEN1TRPM2ALDH1A1CYP1A2
Methylamine SCHEMBL9777145 0.81 ORAI1 (0.45) KDM4EMEN1TRPM2ALDH1A1CYP1A2
Butylamine SCHEMBL1039730 0.81 PCSK9 (0.48) KDM4EMEN1TRPM2ALDH1A1CYP1A2
Trientine SCHEMBL9777153 0.81 TDP1 (0.48) KDM4EMEN1TRPM2ALDH1A1CYP1A2
SCHEMBL11103898 0.81 TRPV6 (0.50) KDM4EMEN1TRPM2ALDH1A1CYP1A2
SCHEMBL3887343 0.81 TRPV6 (0.50) KDM4EMEN1TRPM2ALDH1A1CYP1A2
Fluoride SCHEMBL5958527 0.81 TRPV6 (0.50) KDM4EMEN1TRPM2ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1227111-A1 TRIPHENYLBORON-CONTAINING POLYMERS AND USE THEREOF Yoshitomi Fine Chemicals, Ltd. (JP) 2002-07-31 EP disclosed