SCHEMBL14219638

SCHEMBL14219638

Bc1cc(C)cnc1Nc1c(C(=O)NOCC2CC2)cc(F)c(F)c1F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
MAP2K1 Q02750 10/20 0.44
MAP2K2 P36507 2/20 0.42
RAF1 P04049 1/20 0.42
PDGFRB P09619 1/20 0.42
CSNK2A2 P19784 1/20 0.42
CSNK2B P67870 1/20 0.42
CSNK2A1 P68400 1/20 0.42
CSNK2A3 Q8NEV1 1/20 0.42
AURKC Q9UQB9 1/20 0.42
CAMK2A Q9UQM7 1/20 0.42
KDR P35968 1/20 0.40
JAK2 O60674 1/20 0.34
NTRK1 P04629 1/20 0.34
DHODH Q02127 1/20 0.33
CDK1 P06493 1/20 0.32
CDK4 P11802 1/20 0.32
CCND1 P24385 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
SCHEMBL14223217 0.91 MEN1 (0.47) MEN1KMT2ATDP1MAP2K1MAP2K2
SCHEMBL14220167 0.91 MEN1 (0.47) MEN1KMT2ATDP1MAP2K1MAP2K2
SCHEMBL14219632 0.90 MEN1 (0.62) MEN1KMT2ATDP1MAP2K1MAP2K2
SCHEMBL14219654 0.90 MAP2K1 (0.54) MEN1KMT2ATDP1MAP2K1MAP2K2
SCHEMBL14222859 0.89 MEN1 (0.58) MEN1KMT2ATDP1MAP2K1MAP2K2
SCHEMBL14220171 0.87 MEN1 (0.41) MEN1KMT2ATDP1MAP2K1MAP2K2
SCHEMBL14219827 0.87 MEN1 (0.60) MEN1KMT2ATDP1MAP2K1MAP2K2
SCHEMBL14223214 0.86 MEN1 (0.55) MEN1KMT2ATDP1MAP2K1MAP2K2
SCHEMBL14220154 0.85 MEN1 (0.40) MEN1KMT2ATDP1MAP2K1MAP2K2
SCHEMBL14219751 0.83 MEN1 (0.60) 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 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