SCHEMBL5872970

SCHEMBL5872970

Cc1cc(I)ccc1Nc1c(C(=O)O)cc(C(=O)N2CCN(c3ccc(C(=O)O)c(Cl)c3)CC2C)c(F)c1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 7/20 0.42
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAP2K2 P36507 5/20 0.38
CHRM2 P08172 3/20 0.35
CHRM1 P11229 2/20 0.35
CHRM3 P20309 2/20 0.35
MYC P01106 1/20 0.35
NR4A1 P22736 1/20 0.35
CHRM5 P08912 1/20 0.35
IDO1 P14902 1/20 0.34
HRH3 Q9Y5N1 6/20 0.34
KCNH2 Q12809 4/20 0.34
RAF1 P04049 1/20 0.34
PDGFRB P09619 1/20 0.34
CSNK2A2 P19784 1/20 0.34
CSNK2B P67870 1/20 0.34
CSNK2A1 P68400 1/20 0.34
CSNK2A3 Q8NEV1 1/20 0.34

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
SCHEMBL5872911 0.82 MEN1 (0.42) MAP2K1MEN1KMT2ATDP1MAP2K2
SCHEMBL5872755 0.81 MEN1 (0.39) MAP2K1MEN1KMT2ATDP1MAP2K2
SCHEMBL5872969 0.79 MAP2K1 (0.40) MAP2K1MEN1KMT2ATDP1MAP2K2
SCHEMBL5872786 0.77 MEN1 (0.45) MAP2K1MEN1KMT2ATDP1MAP2K2
SCHEMBL5873041 0.77 ROCK2 (0.39) MEN1KMT2ATDP1IDO1
SCHEMBL5872850 0.74 MAP2K1 (0.56) MAP2K1MEN1KMT2ATDP1MAP2K2
SCHEMBL5872765 0.74 MAP2K1 (0.52) MAP2K1MEN1KMT2ATDP1MAP2K2
SCHEMBL5872766 0.74 MAP2K1 (0.52) MAP2K1MEN1KMT2ATDP1MAP2K2
SCHEMBL5872791 0.73 MAP2K1 (0.48) MAP2K1MEN1KMT2ATDP1MAP2K2
SCHEMBL5872799 0.73 MAP2K1 (0.49) MAP2K1MEN1KMT2ATDP1MAP2K2

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
US-7001905-B2 Substituted diarylamines as MEK inhibitors WARNER-LAMBERT COMPANY (US) 2006-02-21 US disclosed