SCHEMBL14219644

SCHEMBL14219644

C=CCONC(=O)c1cc(F)c(F)c(F)c1Nc1ncc(Br)cc1C

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 2/20 0.37
MAP2K1 Q02750 16/20 0.37
MAP2K2 P36507 3/20 0.37
ABCB11 O95342 1/20 0.37
NQO2 P16083 1/20 0.37
SMC2 O95347 1/20 0.34
EGFR P00533 1/20 0.34
CSNK2A2 P19784 1/20 0.34
SMC1A Q14683 1/20 0.34
AAK1 Q2M2I8 1/20 0.34
Q6ZSR9 Q6ZSR9 1/20 0.34
BMP2K Q9NSY1 1/20 0.34
NPC1 O15118 1/20 0.34
KAT6A Q92794 1/20 0.32

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
SCHEMBL14219723 0.92 MAP2K1 (0.39) MEN1KMT2ATDP1ALDH1A1MAP2K1
SCHEMBL14223051 0.89 MAP2K1 (0.44) MEN1KMT2ATDP1ALDH1A1MAP2K1
SCHEMBL14219743 0.88 MEN1 (0.42) MEN1KMT2ATDP1ALDH1A1MAP2K1
SCHEMBL14220157 0.88 MEN1 (0.42) MEN1KMT2ATDP1ALDH1A1MAP2K1
SCHEMBL14220113 0.87 MAP2K1 (0.49) MEN1KMT2ATDP1MAP2K1MAP2K2
SCHEMBL14219711 0.87 MEN1 (0.42) MEN1KMT2ATDP1ALDH1A1MAP2K1
SCHEMBL14222856 0.86 MEN1 (0.40) MEN1KMT2ATDP1ALDH1A1MAP2K1
SCHEMBL14223057 0.86 MAP2K1 (0.41) MEN1KMT2ATDP1ALDH1A1MAP2K1
SCHEMBL14223058 0.85 MEN1 (0.60) MEN1KMT2ATDP1MAP2K1MAP2K2
SCHEMBL14219647 0.84 MAP2K1 (0.51) MEN1KMT2ATDP1MAP2K1MAP2K2

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
WO-2008041088-A2 N-HYDROXY BENZAMIDES WITH ANTITUMOR ACTIVITY EOS (ETHICAL ONCOLOGY SCIENCE) S.P.A. (IT) 2008-04-10 WO disclosed
EP-1908751-A1 N-hydroxy benzamides with antitumour activity EOS S.p.A. (IT) 2008-04-09 EP disclosed