SCHEMBL14220123

SCHEMBL14220123

Bc1cc(C(=O)NOCC(=O)O)c(Nc2ncc(C)cc2C)c(F)c1F

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
DHODH Q02127 1/20 0.34
LCK P06239 1/20 0.32
MAP2K1 Q02750 3/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
ABCB11 O95342 1/20 0.30
NQO2 P16083 1/20 0.30
MAP2K2 P36507 1/20 0.30

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
SCHEMBL14220172 0.93 DHODH (0.35) MEN1KMT2ATDP1DHODHMAP2K1
SCHEMBL14220120 0.90 MAP2K1 (0.36) MEN1KMT2ATDP1DHODHLCK
SCHEMBL14219630 0.88 MAP2K1 (0.40) MEN1KMT2ATDP1DHODHLCK
SCHEMBL14220178 0.88 MAP2K1 (0.41) MAP2K1ABCB11NQO2MAP2K2
SCHEMBL14219726 0.84 MAP2K1 (0.34) MEN1KMT2ATDP1DHODHMAP2K1
SCHEMBL14219684 0.83 LMNA (0.42) MEN1KMT2ADHODHLCKLMNA
SCHEMBL14219727 0.82 MEN1 (0.34) MEN1KMT2ATDP1MAP2K1MAP2K2
SCHEMBL14219710 0.80 MEN1 (0.40) MEN1KMT2ATDP1DHODHMAP2K1
SCHEMBL14219711 0.80 MEN1 (0.42) MEN1KMT2ATDP1MAP2K1ABCB11
SCHEMBL14219738 0.80 MEN1 (0.42) MEN1KMT2ATDP1DHODHMAP2K1

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