SCHEMBL7855484

SCHEMBL7855484

C/C=C/COc1cc(C(N)=O)c(Nc2ccc(I)cc2C)c(F)c1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
MAP2K1 Q02750 16/20 0.45
MAP2K2 P36507 3/20 0.45
PIM1 P11309 1/20 0.38
CAMK2B Q13554 1/20 0.38
IDO1 P14902 1/20 0.37
AURKA O14965 1/20 0.37
PRKCB P05771 1/20 0.37
SRC P12931 1/20 0.37
TNFRSF1A P19438 1/20 0.37
STK3 Q13188 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 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
SCHEMBL7855485 1.00 MEN1 (0.48) MEN1KMT2ATDP1MAP2K1MAP2K2
SCHEMBL7743110 0.83 MEN1 (0.48) MEN1KMT2ATDP1MAP2K1MAP2K2
SCHEMBL7848269 0.83 MEN1 (0.48) MEN1KMT2ATDP1MAP2K1MAP2K2
SCHEMBL7855422 0.82 MEN1 (0.47) MEN1KMT2ATDP1MAP2K1MAP2K2
SCHEMBL7743118 0.79 MEN1 (0.45) MEN1KMT2ATDP1MAP2K1MAP2K2
SCHEMBL30022485 0.78 MAP2K1 (0.63) MAP2K1MAP2K2PIM1CAMK2B
SCHEMBL7745819 0.77 MEN1 (0.53) MEN1KMT2ATDP1MAP2K1MAP2K2
SCHEMBL7737777 0.77 MEN1 (0.45) MEN1KMT2ATDP1MAP2K1MAP2K2
SCHEMBL5387038 0.77 MEN1 (0.58) MEN1KMT2ATDP1MAP2K1MAP2K2
SCHEMBL5387031 0.77 MEN1 (0.58) 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
WO-2000035435-A9 USE OF A MEK INHIBITOR FOR PREVENTING TRANSPLANT REJECTION WARNER LAMBERT CO (US) 2001-03-22 WO claimed