SCHEMBL1708669

SCHEMBL1708669

CC(=O)O[C@@H]1COc2cc(N[C@@H]3COc4c3cccc4-n3c(-c4ccc(C)o4)nc4ccc(F)cc43)ccc21

nearest known ligand 0.31

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 7/20 0.31
MAPT P10636 7/20 0.31
SMN1; SMN2 Q16637 3/20 0.31
TP53 P04637 2/20 0.31
THRB P10828 1/20 0.31
ALDH1A1 P00352 6/20 0.31
PKM P14618 5/20 0.31
MAPK1 P28482 3/20 0.31
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
KDM4E B2RXH2 2/20 0.31
TSHR P16473 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
NPC1 O15118 1/20 0.30
LMNA P02545 1/20 0.30
HPGD P15428 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL1707933 0.99 GAA (0.31) GAAMAPTSMN1; SMN2TP53THRB
SCHEMBL1708287 0.90 MAPT (0.32) MAPTSMN1; SMN2ALDH1A1MAPK1TSHR
SCHEMBL1708395 0.90 MAPT (0.32) MAPTSMN1; SMN2ALDH1A1MAPK1TSHR
SCHEMBL1708628 0.90 MAPT (0.32) MAPTSMN1; SMN2ALDH1A1MAPK1TSHR
SCHEMBL1708091 0.89 ADORA2B (0.31) MAPTSMN1; SMN2ALDH1A1MAPK1TSHR
SCHEMBL1708715 0.88 RIPK1 (0.32)
SCHEMBL1708673 0.88 MAPT (0.33) MAPTSMN1; SMN2ALDH1A1MAPK1L3MBTL1
SCHEMBL1708661 0.88 MAPT (0.33) MAPTSMN1; SMN2ALDH1A1MAPK1L3MBTL1
SCHEMBL10009874 0.87 FFAR1 (0.38)
SCHEMBL1708358 0.87 L3MBTL1 (0.33) L3MBTL1

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