SCHEMBL14220154

SCHEMBL14220154

Bc1cc(C)cnc1Nc1c(C(=O)NOCC=C)cc(F)c(F)c1F

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 1/20 0.37
DHODH Q02127 2/20 0.34
MAP2K1 Q02750 15/20 0.33
MAP2K2 P36507 2/20 0.32
ABCB11 O95342 1/20 0.32
NQO2 P16083 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
SCHEMBL14219716 0.90 ALDH1A1 (0.36) MEN1KMT2ATDP1ALDH1A1DHODH
SCHEMBL14220171 0.89 MEN1 (0.41) MEN1KMT2ATDP1DHODHMAP2K1
SCHEMBL14222856 0.88 MEN1 (0.40) MEN1KMT2ATDP1ALDH1A1DHODH
SCHEMBL14220157 0.86 MEN1 (0.42) MEN1KMT2ATDP1ALDH1A1MAP2K1
SCHEMBL14219638 0.85 MEN1 (0.58) MEN1KMT2ATDP1DHODHMAP2K1
SCHEMBL14220111 0.85 ALDH1A1 (0.40) MEN1KMT2ATDP1ALDH1A1DHODH
SCHEMBL14222863 0.84 MAP2K1 (0.47) MEN1KMT2ATDP1MAP2K1MAP2K2
SCHEMBL14220170 0.84 MAP2K1 (0.47) MEN1KMT2ATDP1MAP2K1MAP2K2
SCHEMBL14219826 0.83 TDP1 (0.36) MEN1KMT2ATDP1DHODHMAP2K1
SCHEMBL14219644 0.82 MEN1 (0.42) MEN1KMT2ATDP1ALDH1A1MAP2K1

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