SCHEMBL6137984

SCHEMBL6137984

Cc1cc(I)ccc1Nc1c(OC(=O)O)cc2ncoc2c1F

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 12/20 0.37
MAP2K2 P36507 3/20 0.37
MAPK1 P28482 1/20 0.35
GFER P55789 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PIM1 P11309 1/20 0.32
CAMK2B Q13554 1/20 0.32
FLT1 P17948 1/20 0.32

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
SCHEMBL27524919 0.92 IDO1 (0.40) IDO1MEN1KMT2ATDP1MAP2K1
SCHEMBL5988559 0.85 IDO1 (0.55) IDO1MEN1KMT2ATDP1MAP2K1
SCHEMBL5988797 0.83 IDO1 (0.45) IDO1MEN1KMT2ATDP1MAP2K1
SCHEMBL27524920 0.82 IDO1 (0.42) IDO1MEN1KMT2ATDP1MAP2K1
SCHEMBL6138125 0.82 IDO1 (0.41) IDO1MEN1KMT2ATDP1MAP2K1
SCHEMBL5988532 0.81 IDO1 (0.45) IDO1MEN1KMT2ATDP1MAP2K1
SCHEMBL6137927 0.80 IDO1 (0.40) IDO1MEN1KMT2ATDP1MAP2K1
SCHEMBL6137799 0.80 IDO1 (0.40) IDO1MEN1KMT2ATDP1MAP2K1
SCHEMBL27477193 0.78 CSF1R (0.41) MEN1KMT2A
SCHEMBL6137796 0.78 IDO1 (0.42) 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