SCHEMBL14220157

SCHEMBL14220157

Bc1cnc(Nc2c(C(=O)NOCC=C)cc(F)c(F)c2F)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 1/20 0.37
MAP2K1 Q02750 13/20 0.33
MAP2K2 P36507 2/20 0.32
ABCB11 O95342 1/20 0.32
NQO2 P16083 1/20 0.32
KAT6A Q92794 1/20 0.32
PIM1 P11309 1/20 0.30
CAMK2B Q13554 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
SCHEMBL14219657 0.90 ALDH1A1 (0.36) MEN1KMT2ATDP1ALDH1A1MAP2K1
SCHEMBL14223208 0.89 MEN1 (0.43) MEN1KMT2ATDP1MAP2K1MAP2K2
SCHEMBL14219743 0.88 MEN1 (0.42) MEN1KMT2ATDP1ALDH1A1MAP2K1
SCHEMBL14219644 0.88 MEN1 (0.42) MEN1KMT2ATDP1ALDH1A1MAP2K1
SCHEMBL14219652 0.87 MAP2K1 (0.43) MEN1KMT2ATDP1MAP2K1MAP2K2
SCHEMBL14220154 0.86 MEN1 (0.40) MEN1KMT2ATDP1ALDH1A1MAP2K1
SCHEMBL14219648 0.86 MEN1 (0.39) MEN1KMT2ATDP1MAP2K1
SCHEMBL14219827 0.85 MEN1 (0.60) MEN1KMT2ATDP1MAP2K1MAP2K2
SCHEMBL14223207 0.84 MAP2K1 (0.47) MEN1KMT2ATDP1MAP2K1MAP2K2
SCHEMBL14219649 0.83 TDP1 (0.38) MEN1KMT2ATDP1MAP2K1

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