Monoethanolamine

Monoethanolamine

SCHEMBL8939632

NCCO.NCCO.O=S(=O)(O)c1cccc2c(S(=O)(=O)O)cccc12

nearest known ligand 0.63

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

MPL

The experimentally established mechanism targets of Monoethanolamine. 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
TTR P02766 1/20 0.63
CYP1A2 P05177 7/20 0.55
AURKA O14965 1/20 0.46
AURKB Q96GD4 1/20 0.46
CDK2 P24941 1/20 0.46
CYP3A4 P08684 7/20 0.43
CYP2C9 P11712 5/20 0.43
CYP2C19 P33261 5/20 0.43
TP53 P04637 5/20 0.43
CYP2D6 P10635 4/20 0.43
MAPK1 P28482 3/20 0.43
THPO P40225 3/20 0.43
NFKB1 P19838 2/20 0.43
FPR2 P25090 2/20 0.42
KDM4E B2RXH2 2/20 0.42
HSD17B10 Q99714 2/20 0.42
MTOR P42345 1/20 0.42
CSNK1A1 P48729 1/20 0.42
MYLK Q15746 1/20 0.42
MEN1 O00255 4/20 0.42

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
SCHEMBL29363198 0.85 TTR (0.75) TTRCYP1A2AURKAAURKBCDK2
SCHEMBL6242 0.85 TTR (0.75) TTRCYP1A2AURKAAURKBCDK2
SCHEMBL30233642 0.85 TTR (0.75) TTRCYP1A2AURKAAURKBCDK2
Alcohol SCHEMBL29144256 0.83 TTR (0.62) TTRCYP1A2AURKAAURKBCDK2
Ammonia Solution, Strong SCHEMBL25312340 0.83 TTR (0.72) TTRCYP1A2AURKAAURKBCDK2
Ammonia Solution, Strong SCHEMBL10954121 0.83 TTR (0.72) TTRCYP1A2AURKAAURKBCDK2
SCHEMBL460184 0.83 TTR (0.72) TTRCYP1A2AURKAAURKBCDK2
Hydrochloric Acid SCHEMBL7455908 0.83 TTR (0.72) TTRCYP1A2AURKAAURKBCDK2
SCHEMBL8028660 0.83 TTR (0.72) TTRCYP1A2AURKAAURKBCDK2
Water SCHEMBL242080 0.83 TTR (0.72) TTRCYP1A2AURKAAURKBCDK2

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
US-5578249-A APPLYING A POLYANILINE TO A SUBSTRATE, DRYING AND SUBJECTING THE POLYMER TO OXIDATION AND DOPING NITTO DENKO CORPORATION (JP) 1996-11-26 US disclosed
EP-0579027-A1 Organic polymer solution composition and process for producting electrically conductive organic polymer therefrom NITTO DENKO CORPORATION (JP) 1994-01-19 EP disclosed