SCHEMBL6528775

SCHEMBL6528775

CSc1ccc(Nc2cc(=O)n(C)cc2C(=O)OCC(N)=O)c(F)c1

nearest known ligand 0.74

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 19/20 0.74
MAP2K2 P36507 17/20 0.74
ALDH1A1 P00352 1/20 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
SCHEMBL6528379 0.87 MAP2K1 (0.69) MAP2K1MAP2K2
SCHEMBL5623601 0.85 MAP2K1 (1.00) MAP2K1MAP2K2
SCHEMBL6498903 0.82 MAP2K1 (0.52) MAP2K1MAP2K2ALDH1A1
SCHEMBL5624338 0.82 MAP2K1 (0.81) MAP2K1MAP2K2
Monoethanolamine SCHEMBL6528780 0.81 MAP2K1 (0.75) MAP2K1MAP2K2
SCHEMBL6528777 0.78 MAP2K1 (0.74) MAP2K1MAP2K2
SCHEMBL14418955 0.77 MAP2K1 (0.69) MAP2K1MAP2K2
SCHEMBL6528383 0.77 MAP2K1 (0.68) MAP2K1MAP2K2
SCHEMBL5622965 0.77 MAP2K1 (0.82) MAP2K1MAP2K2
SCHEMBL14418953 0.77 MAP2K1 (0.75) 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