SCHEMBL1707901

SCHEMBL1707901

CC(=O)O[C@@H]1COc2cc(NCc3ccc(C)c(-c4c(C)nc(N5CCOCC5)nc4C)c3C)ccc21

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 8/20 0.38
ALDH1A1 P00352 4/20 0.38
ALOX15 P16050 4/20 0.38
MAPT P10636 3/20 0.38
MAPK1 P28482 2/20 0.38
KDM4E B2RXH2 7/20 0.36
HSD17B10 Q99714 5/20 0.36
TSHR P16473 1/20 0.36
LMNA P02545 2/20 0.34
HPGD P15428 1/20 0.34
STAT6 P42226 1/20 0.34
PTGS2 P35354 1/20 0.33
RAB9A P51151 1/20 0.33
RAF1 P04049 1/20 0.33
BRAF P15056 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL1708348 0.89 GAA (0.39) GAAALDH1A1ALOX15MAPTMAPK1
SCHEMBL1707923 0.86 GAA (0.36) GAAALDH1A1ALOX15MAPTMAPK1
SCHEMBL1707899 0.85 FFAR1 (0.43) GAAALDH1A1KDM4EHSD17B10TSHR
SCHEMBL3719582 0.85 WNT3A (0.39) GAAALDH1A1ALOX15MAPTMAPK1
SCHEMBL10291552 0.84 MAPT (0.37) GAAALDH1A1ALOX15MAPTMAPK1
SCHEMBL1708457 0.83 STAT6 (0.37) GAAALDH1A1ALOX15MAPTMAPK1
SCHEMBL1707869 0.83 STAT6 (0.36) GAAALDH1A1ALOX15MAPTMAPK1
SCHEMBL3794470 0.79 RORC (0.33) GAAALDH1A1MAPTKDM4ERAB9A
SCHEMBL1708596 0.78 INSR (0.35) GAAALDH1A1MAPTKDM4ETSHR
SCHEMBL1708467 0.77 FFAR1 (0.35) GAAALDH1A1MAPTKDM4ELMNA

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