SCHEMBL1708028

SCHEMBL1708028

CCc1nc2ccc(F)cc2n1-c1cccc(CNc2ccc3c(c2)OC[C@H]3CC(=O)OC)c1C

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 13/20 0.37
MAPT P10636 2/20 0.33
PPARD Q03181 1/20 0.33
BMI1 P35226 3/20 0.33
TP53 P04637 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL1708082 0.93 FFAR1 (0.36) FFAR1MAPTPPARDTP53
SCHEMBL1707877 0.93 FFAR1 (0.42) FFAR1PPARD
SCHEMBL1708121 0.91 FFAR1 (0.35) FFAR1MAPTPPARDBMI1TP53
SCHEMBL1707998 0.91 FFAR1 (0.37) FFAR1MAPTPPARD
SCHEMBL1708157 0.91 FFAR1 (0.38) FFAR1MAPTPPARDTP53L3MBTL1
SCHEMBL1708300 0.91 FFAR1 (0.38) FFAR1MAPTPPARDL3MBTL1
SCHEMBL10291340 0.89 MAPT (0.34) MAPTBMI1TP53
SCHEMBL1708439 0.87 FFAR1 (0.40) FFAR1MAPTPPARD
SCHEMBL1708153 0.87 SMN1; SMN2 (0.40) FFAR1MAPTPPARDTP53
SCHEMBL10291339 0.87 BMI1 (0.34) FFAR1MAPTBMI1TP53

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 3 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
WO-2010143733-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-16 WO disclosed