SCHEMBL14219636

SCHEMBL14219636

O=C(NOCC(O)CO)c1cc(F)c(F)c(F)c1Nc1ncc(F)cc1F

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 17/20 0.51
MAP2K2 P36507 3/20 0.51
MAPK1 P28482 2/20 0.48
BRAF P15056 1/20 0.48
MAP2K5 Q13163 1/20 0.48
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
JAK2 O60674 1/20 0.37
NTRK1 P04629 1/20 0.37

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
SCHEMBL14219707 1.00 MAP2K1 (0.51) MAP2K1MAP2K2MAPK1BRAFMAP2K5
SCHEMBL14219651 0.91 MAP2K1 (0.49) MAP2K1MAP2K2MAPK1BRAFMAP2K5
SCHEMBL14223036 0.91 MAP2K1 (0.55) MAP2K1MAP2K2MAPK1BRAFMAP2K5
SCHEMBL14219745 0.91 MAP2K1 (0.49) MAP2K1MAP2K2MAPK1BRAFMAP2K5
SCHEMBL14219694 0.91 MAP2K1 (0.62) MAP2K1MAP2K2MAPK1BRAFMAP2K5
SCHEMBL14219748 0.89 MAP2K1 (0.62) MAP2K1MAP2K2MAPK1BRAFMAP2K5
SCHEMBL14222546 0.89 MAP2K1 (0.62) MAP2K1MAP2K2MAPK1BRAFMAP2K5
SCHEMBL14220148 0.85 MAP2K1 (0.55) MAP2K1MAP2K2MAPK1BRAFMAP2K5
SCHEMBL14219633 0.85 MAP2K1 (0.55) MAP2K1MAP2K2MAPK1BRAFMAP2K5
SCHEMBL14223026 0.85 MAP2K1 (0.49) MAP2K1MAP2K2MAPK1BRAFMAP2K5

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-1908751-A1 N-hydroxy benzamides with antitumour activity EOS S.p.A. (IT) 2008-04-09 EP disclosed