SCHEMBL7122897

SCHEMBL7122897

Cc1cc(I)ccc1Nc1c(F)c(F)c(S(=O)(=O)N(CCCO)Cc2ccccn2)c(OCC2CC2)c1C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAP2K1 Q02750 15/20 0.34
CA2 P00918 2/20 0.33
CXCR3 P49682 2/20 0.33
RAF1 P04049 1/20 0.32
PDGFRB P09619 1/20 0.32
CSNK2A2 P19784 1/20 0.32
MAP2K2 P36507 1/20 0.32
CSNK2B P67870 1/20 0.32
CSNK2A1 P68400 1/20 0.32
CSNK2A3 Q8NEV1 1/20 0.32
AURKC Q9UQB9 1/20 0.32
CAMK2A Q9UQM7 1/20 0.32
F2 P00734 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC11 Q96DB2 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31

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
SCHEMBL7118585 0.97 MEN1 (0.44) MEN1KMT2ATDP1MAP2K1CA2
SCHEMBL7461661 0.90 MEN1 (0.45) MEN1KMT2ATDP1MAP2K1CA2
SCHEMBL7454190 0.89 MEN1 (0.44) MEN1KMT2ATDP1MAP2K1CA2
SCHEMBL7785868 0.87 CXCR3 (0.34) MEN1KMT2ATDP1CXCR3HDAC3
SCHEMBL7125539 0.86 MEN1 (0.45) MEN1KMT2ATDP1MAP2K1CA2
SCHEMBL7123642 0.85 MEN1 (0.47) MEN1KMT2ATDP1MAP2K1CA2
SCHEMBL6262764 0.82 MEN1 (0.58) MEN1KMT2ATDP1MAP2K1RAF1
SCHEMBL7123660 0.82 MEN1 (0.45) MEN1KMT2ATDP1MAP2K1CA2
SCHEMBL6263014 0.80 MEN1 (0.59) MEN1KMT2ATDP1MAP2K1RAF1
SCHEMBL7464207 0.79 CCR6 (0.34) MEN1KMT2ATDP1MAP2K1CXCR3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2003504401-A 2003-02-04 JP claimed
EP-1202724-A2 METHOD FOR TREATING CHRONIC PAIN USING MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2002-05-08 EP claimed
WO-2001005393-A2 METHOD FOR TREATING CHRONIC PAIN USING MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-01-25 WO claimed