SCHEMBL6137796

SCHEMBL6137796

Cc1cc(I)ccc1Nc1c(OC(=O)O)cc2nn[nH]c2c1F

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.42
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAP2K1 Q02750 11/20 0.36
MAPK1 P28482 1/20 0.35
MAP2K2 P36507 3/20 0.35
GFER P55789 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TNIK Q9UKE5 2/20 0.33
PIM1 P11309 1/20 0.31
CAMK2B Q13554 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
SCHEMBL27557492 0.92 IDO1 (0.40) IDO1MEN1KMT2ATDP1MAP2K1
SCHEMBL5988343 0.85 IDO1 (0.55) IDO1MEN1KMT2ATDP1MAP2K1
SCHEMBL6137927 0.84 IDO1 (0.40) IDO1MEN1KMT2ATDP1MAP2K1
SCHEMBL5991762 0.83 IDO1 (0.45) IDO1MEN1KMT2ATDP1MAP2K1
SCHEMBL27557493 0.82 IDO1 (0.42) IDO1MEN1KMT2ATDP1MAP2K1
SCHEMBL5988706 0.81 IDO1 (0.45) IDO1MEN1KMT2ATDP1MAP2K1
SCHEMBL6138125 0.80 IDO1 (0.41) IDO1MEN1KMT2ATDP1MAP2K1
SCHEMBL6138310 0.79 MEN1 (0.37) IDO1MEN1KMT2ATDP1MAP2K1
SCHEMBL27494576 0.78 MEN1 (0.41) MEN1KMT2A
SCHEMBL6137799 0.78 IDO1 (0.40) IDO1MEN1KMT2ATDP1MAP2K1

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