SCHEMBL6946730

SCHEMBL6946730

Cc1cc(-c2nsnc2Cl)ccc1Nc1c(C(=O)NO)cc(F)c(F)c1F.Cc1cc(-c2nsnc2OCCN(C)C)ccc1Nc1c(C(=O)O)cc(F)c(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
DHODH Q02127 2/20 0.32
MELK Q14680 2/20 0.31
FTO Q9C0B1 2/20 0.31
SYK P43405 1/20 0.30
LIMK1 P53667 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL6947376 0.92 MEN1 (0.38) MEN1KMT2ATDP1DHODHMELK
SCHEMBL6945840 0.84 MEN1 (0.42) MEN1KMT2ATDP1DHODHFTO
SCHEMBL6941232 0.83 MEN1 (0.41) MEN1KMT2ATDP1DHODHFTO
SCHEMBL6946757 0.79 MEN1 (0.39) MEN1KMT2ATDP1
SCHEMBL6944936 0.73 MEN1 (0.67) MEN1KMT2ATDP1
SCHEMBL6943774 0.69 MEN1 (0.56) MEN1KMT2ATDP1
SCHEMBL6948332 0.69 MEN1 (0.42) MEN1KMT2ATDP1DHODHFTO
SCHEMBL6945160 0.67 MEN1 (0.41) MEN1KMT2ATDP1DHODHFTO
SCHEMBL6944483 0.65 MAP2K1 (0.57) MEN1KMT2ATDP1
SCHEMBL5403672 0.64 MEN1 (0.66) MEN1KMT2ATDP1MAPK1

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-1202724-B1 METHOD FOR TREATING CHRONIC PAIN USING MEK INHIBITORS WARNER LAMBERT CO (US) 2003-10-01 EP claimed