SCHEMBL6137888

SCHEMBL6137888

CC(=O)n1cnc2cc(OC(=O)O)c(Nc3ccc(I)cc3C)c(F)c21

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 11/20 0.42
IDO1 P14902 3/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAPK1 P28482 1/20 0.34
MAP2K2 P36507 1/20 0.33
GFER P55789 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CSF1R P07333 1/20 0.31
PIM1 P11309 1/20 0.31
CAMK2B Q13554 1/20 0.31
KCNH2 Q12809 1/20 0.31

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
SCHEMBL5989638 0.85 MAP2K1 (0.51) MAP2K1IDO1MEN1KMT2ATDP1
SCHEMBL5989796 0.82 MEN1 (0.43) MAP2K1IDO1MEN1KMT2ATDP1
SCHEMBL6138125 0.79 IDO1 (0.41) MAP2K1IDO1MEN1KMT2ATDP1
SCHEMBL6137984 0.78 IDO1 (0.42) MAP2K1IDO1MEN1KMT2ATDP1
SCHEMBL6137799 0.78 IDO1 (0.40) MAP2K1IDO1MEN1KMT2ATDP1
SCHEMBL6137927 0.78 IDO1 (0.40) MAP2K1IDO1MEN1KMT2ATDP1
SCHEMBL5991588 0.76 MEN1 (0.68) MAP2K1MEN1KMT2ATDP1MAP2K2
SCHEMBL6137796 0.76 IDO1 (0.42) MAP2K1IDO1MEN1KMT2ATDP1
SCHEMBL7115812 0.73 IDO1 (0.40) MAP2K1IDO1MEN1KMT2ATDP1
SCHEMBL27478877 0.72 MEN1 (0.38) MAP2K1IDO1MEN1KMT2ATDP1

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-1144385-B1 BENZOHETEROCYCLES AND THEIR USE AS MEK INHIBITORS WARNER LAMBERT CO (US) 2005-08-17 EP claimed