Monoethanolamine

Monoethanolamine

SCHEMBL6528780

CSc1ccc(Nc2cc(=O)n(C)cc2C(=O)O)c(F)c1.NCCO

nearest known ligand 0.75

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 2)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 20/20 0.75
MAP2K2 P36507 16/20 0.75

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
SCHEMBL5624338 0.94 MAP2K1 (0.81) MAP2K1MAP2K2
SCHEMBL6528383 0.91 MAP2K1 (0.68) MAP2K1MAP2K2
SCHEMBL5623601 0.86 MAP2K1 (1.00) MAP2K1MAP2K2
SCHEMBL6528777 0.84 MAP2K1 (0.74) MAP2K1MAP2K2
SCHEMBL14418953 0.83 MAP2K1 (0.75) MAP2K1MAP2K2
SCHEMBL14418955 0.82 MAP2K1 (0.69) MAP2K1MAP2K2
SCHEMBL6528775 0.81 MAP2K1 (0.74) MAP2K1MAP2K2
SCHEMBL5623436 0.80 MAP2K1 (0.79) MAP2K1MAP2K2
SCHEMBL5622730 0.80 MAP2K1 (0.77) MAP2K1MAP2K2
SCHEMBL6528382 0.79 MAP2K1 (0.66) MAP2K1MAP2K2

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
WO-2005000818-A1 5-SUBSTITUTED-4-`(SUBSTITUTED PHENYL)!AMINO!-2-PYRIDONE DEVIATIVES FOR USE AS MEK INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2005-01-06 WO disclosed