SCHEMBL1708222

SCHEMBL1708222

CC(=O)O[C@H]1c2ccc(NCc3ccc(C)c(-c4cnc(N5CCOCC5)c(F)c4)c3C)cc2OC1C

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
STAT6 P42226 6/20 0.36
GAA P10253 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
RAF1 P04049 6/20 0.34
BRAF P15056 6/20 0.34
BDKRB1 P46663 3/20 0.34
MTOR P42345 1/20 0.34
AOC3 Q16853 1/20 0.33
EED O75530 1/20 0.33
SUZ12 Q15022 1/20 0.33
EZH2 Q15910 1/20 0.33
TRPV3 Q8NET8 1/20 0.33

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
SCHEMBL1707989 0.94 EED (0.38) STAT6GAAALOX15MAPK1RAF1
SCHEMBL1708599 0.88 WNT3A (0.38) RAF1BRAFMTORAOC3EED
SCHEMBL1708457 0.88 STAT6 (0.37) STAT6GAAALOX15MAPK1RAF1
SCHEMBL1707869 0.87 STAT6 (0.36) STAT6GAAALOX15MAPK1RAF1
SCHEMBL1707923 0.83 GAA (0.36) STAT6GAAALOX15MAPK1RAF1
SCHEMBL13046563 0.81 FFAR1 (0.40) STAT6GAAALOX15MAPK1BDKRB1
SCHEMBL1708456 0.81 FFAR1 (0.45) STAT6
SCHEMBL1708224 0.81 GAA (0.36) STAT6GAAALOX15MAPK1RAF1
SCHEMBL1708225 0.80 KLKB1 (0.35) GAAMTOREZH2
SCHEMBL1707868 0.80 FFAR1 (0.38) STAT6GAAALOX15MAPK1RAF1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2440541-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2012-04-18 EP disclosed
WO-2010143733-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-16 WO disclosed