SCHEMBL6944162

SCHEMBL6944162

Cc1cc([S+](C)[O-])ccc1Nc1c(C(=O)NOCC2CC2)cc(F)c(F)c1F

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.74
KMT2A Q03164 1/20 0.74
TDP1 Q9NUW8 1/20 0.74
MAP2K1 Q02750 17/20 0.49
MAP2K2 P36507 2/20 0.49
RAF1 P04049 1/20 0.49
PDGFRB P09619 1/20 0.49
CSNK2A2 P19784 1/20 0.49
CSNK2B P67870 1/20 0.49
CSNK2A1 P68400 1/20 0.49
CSNK2A3 Q8NEV1 1/20 0.49
AURKC Q9UQB9 1/20 0.49
CAMK2A Q9UQM7 1/20 0.49
KDR P35968 1/20 0.36
PIM1 P11309 1/20 0.35
CAMK2B Q13554 1/20 0.35

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
SCHEMBL6947565 0.91 MEN1 (0.61) MEN1KMT2ATDP1MAP2K1MAP2K2
SCHEMBL6948781 0.91 MAP2K1 (0.61) MEN1KMT2ATDP1MAP2K1MAP2K2
SCHEMBL6944131 0.90 MEN1 (0.62) MEN1KMT2ATDP1MAP2K1MAP2K2
SCHEMBL24472623 0.87 MEN1 (0.82) MEN1KMT2ATDP1MAP2K1MAP2K2
SCHEMBL1801637 0.85 MEN1 (1.00) MEN1KMT2ATDP1MAP2K1MAP2K2
SCHEMBL29356577 0.85 MEN1 (1.00) MEN1KMT2ATDP1MAP2K1MAP2K2
SCHEMBL6947451 0.84 MEN1 (0.75) MEN1KMT2ATDP1MAP2K1MAP2K2
SCHEMBL6943682 0.83 MAP2K1 (0.55) MEN1KMT2ATDP1MAP2K1MAP2K2
SCHEMBL6950462 0.83 MEN1 (0.76) MEN1KMT2ATDP1MAP2K1MAP2K2
SCHEMBL6947497 0.83 MEN1 (0.75) 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1202724-B1 METHOD FOR TREATING CHRONIC PAIN USING MEK INHIBITORS WARNER LAMBERT CO (US) 2003-10-01 EP claimed
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
EP-1150950-A2 ANTHRANILIC ACID DERIVATIVES WARNER-LAMBERT COMPANY (US) 2001-11-07 EP claimed
WO-2001005393-A2 METHOD FOR TREATING CHRONIC PAIN USING MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-01-25 WO claimed
WO-2000041505-A2 ANTHRANILIC ACID DERIVATIVES WARNER-LAMBERT COMPANY (US) 2000-07-20 WO claimed
EP-1202724-B1 METHOD FOR TREATING CHRONIC PAIN USING MEK INHIBITORS WARNER LAMBERT CO (US) 2003-10-01 EP disclosed
EP-1202724-A2 METHOD FOR TREATING CHRONIC PAIN USING MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2002-05-08 EP disclosed
EP-1150950-A2 ANTHRANILIC ACID DERIVATIVES WARNER-LAMBERT COMPANY (US) 2001-11-07 EP disclosed
WO-2001005393-A2 METHOD FOR TREATING CHRONIC PAIN USING MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-01-25 WO disclosed
WO-2000041505-A2 ANTHRANILIC ACID DERIVATIVES WARNER-LAMBERT COMPANY (US) 2000-07-20 WO disclosed