SCHEMBL1708268

SCHEMBL1708268

CC(=O)O[C@@H]1COc2cc(NCc3cccc(-n4c(C)nc5ccc(F)cc54)c3C)ccc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.35
RAB9A P51151 5/20 0.34
NPC1 O15118 4/20 0.34
MAPT P10636 6/20 0.33
TP53 P04637 3/20 0.33
INSR P06213 1/20 0.33
IGF1R P08069 1/20 0.33
LMNA P02545 2/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PDE2A O00408 2/20 0.32
ATM Q13315 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
GAA P10253 1/20 0.31
CHEK1 O14757 1/20 0.31
ATR Q13535 1/20 0.31
PDCD1 Q15116 1/20 0.31
ATRIP Q8WXE1 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
SCHEMBL1708180 0.94 SMN1; SMN2 (0.40) SMN1; SMN2RAB9ANPC1MAPTTP53
SCHEMBL1707879 0.93 MAPT (0.34) SMN1; SMN2RAB9ANPC1MAPTTP53
SCHEMBL1708284 0.92 MAPT (0.36) SMN1; SMN2RAB9ANPC1MAPTTP53
SCHEMBL1708122 0.92 MAPT (0.33) SMN1; SMN2RAB9ANPC1MAPTTP53
SCHEMBL1708303 0.90 SMN1; SMN2 (0.37) SMN1; SMN2RAB9ANPC1MAPTTP53
SCHEMBL1708070 0.88 LMNA (0.40) SMN1; SMN2RAB9ANPC1MAPTTP53
SCHEMBL10010743 0.87 MAPT (0.33) SMN1; SMN2RAB9ANPC1MAPTTP53
SCHEMBL1708297 0.86 TSHR (0.38) SMN1; SMN2RAB9ANPC1MAPTTP53
SCHEMBL1708082 0.86 FFAR1 (0.36) SMN1; SMN2RAB9ANPC1MAPTTP53
SCHEMBL10010706 0.86 FFAR1 (0.41)

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