SCHEMBL6137927

SCHEMBL6137927

Cc1cc(I)ccc1Nc1c(OC(=O)O)cc2nc[nH]c2c1F

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.40
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPK1 P28482 1/20 0.38
GFER P55789 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAP2K1 Q02750 9/20 0.35
MAP2K2 P36507 2/20 0.35
FLT1 P17948 1/20 0.32
TNIK Q9UKE5 1/20 0.31
CYP2C9 P11712 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
SCHEMBL5763796 0.85 IDO1 (0.52) IDO1MEN1KMT2ATDP1MAPK1
SCHEMBL6137796 0.84 IDO1 (0.42) IDO1MEN1KMT2ATDP1MAPK1
SCHEMBL3886544 0.83 MEN1 (0.45) IDO1MEN1KMT2ATDP1MAPK1
SCHEMBL5990169 0.82 MEN1 (0.43) IDO1MEN1KMT2ATDP1MAPK1
SCHEMBL6138125 0.82 IDO1 (0.41) IDO1MEN1KMT2ATDP1MAPK1
SCHEMBL5988682 0.81 MEN1 (0.45) IDO1MEN1KMT2ATDP1MAPK1
SCHEMBL6137984 0.80 IDO1 (0.42) IDO1MEN1KMT2ATDP1MAPK1
SCHEMBL6137799 0.80 IDO1 (0.40) IDO1MEN1KMT2ATDP1MAPK1
SCHEMBL6138310 0.79 MEN1 (0.37) IDO1MEN1KMT2ATDP1MAPK1
SCHEMBL6137888 0.78 MAP2K1 (0.42) IDO1MEN1KMT2ATDP1MAPK1

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