SCHEMBL7745819

SCHEMBL7745819

Cc1cc(I)ccc1Nc1c(C(N)=O)cc(OC2CCCC2)c(F)c1F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
MAP2K1 Q02750 11/20 0.46
MAP2K2 P36507 8/20 0.46
RAF1 P04049 1/20 0.38
PDGFRB P09619 1/20 0.38
CSNK2A2 P19784 1/20 0.38
CSNK2B P67870 1/20 0.38
CSNK2A1 P68400 1/20 0.38
CSNK2A3 Q8NEV1 1/20 0.38
AURKC Q9UQB9 1/20 0.38
CAMK2A Q9UQM7 1/20 0.38
PDE4D Q08499 5/20 0.38
IDO1 P14902 1/20 0.38
PDE4A P27815 3/20 0.37
PDE4B Q07343 3/20 0.37
PDE4C Q08493 3/20 0.37
S1PR1 P21453 1/20 0.37
PIM1 P11309 1/20 0.36

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
SCHEMBL7743110 0.78 MEN1 (0.48) MEN1KMT2ATDP1MAP2K1MAP2K2
SCHEMBL7848269 0.78 MEN1 (0.48) MEN1KMT2ATDP1MAP2K1MAP2K2
SCHEMBL7855484 0.77 MEN1 (0.48) MEN1KMT2ATDP1MAP2K1MAP2K2
SCHEMBL7745829 0.77 MEN1 (0.46) MEN1KMT2ATDP1MAP2K1MAP2K2
SCHEMBL7855485 0.77 MEN1 (0.48) MEN1KMT2ATDP1MAP2K1MAP2K2
SCHEMBL7855422 0.77 MEN1 (0.47) MEN1KMT2ATDP1MAP2K1MAP2K2
SCHEMBL5608035 0.76 MEN1 (0.58) MEN1KMT2ATDP1MAP2K1MAP2K2
SCHEMBL5677719 0.75 MAP2K1 (0.79) MEN1KMT2ATDP1MAP2K1MAP2K2
SCHEMBL6227659 0.74 MEN1 (0.58) MEN1KMT2ATDP1MAP2K1MAP2K2
SCHEMBL7743118 0.74 MEN1 (0.45) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2002532414-A 2002-10-02 JP claimed
EP-1140046-A1 USE OF A MEK INHIBITOR FOR PREVENTING TRANSPLANT REJECTION WARNER-LAMBERT COMPANY (US) 2001-10-10 EP claimed
WO-2000035435-A9 USE OF A MEK INHIBITOR FOR PREVENTING TRANSPLANT REJECTION WARNER LAMBERT CO (US) 2001-03-22 WO claimed
WO-2000035435-A1 USE OF A MEK INHIBITOR FOR PREVENTING TRANSPLANT REJECTION WARNER-LAMBERT COMPANY (US) 2000-06-22 WO claimed