SCHEMBL1708180

SCHEMBL1708180

CC(=O)O[C@@H]1COc2cc(NCc3cccc(-n4c(C)nc5cc(F)ccc54)c3C)ccc21

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
TP53 P04637 2/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
MAPT P10636 3/20 0.37
ATM Q13315 1/20 0.37
LMNA P02545 3/20 0.36
TSHR P16473 1/20 0.35
HPGD P15428 3/20 0.34
HTT P42858 1/20 0.34
INSR P06213 1/20 0.33
IGF1R P08069 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL1708268 0.94 SMN1; SMN2 (0.35) SMN1; SMN2TP53NPC1RAB9AMAPT
SCHEMBL1708070 0.92 LMNA (0.40) SMN1; SMN2TP53NPC1RAB9AMAPT
SCHEMBL1708284 0.88 MAPT (0.36) SMN1; SMN2TP53NPC1RAB9AMAPT
SCHEMBL1707879 0.87 MAPT (0.34) SMN1; SMN2TP53NPC1RAB9AMAPT
SCHEMBL1708297 0.86 TSHR (0.38) SMN1; SMN2TP53NPC1RAB9AMAPT
SCHEMBL1708122 0.86 MAPT (0.33) SMN1; SMN2TP53NPC1RAB9AMAPT
SCHEMBL1708303 0.86 SMN1; SMN2 (0.37) SMN1; SMN2TP53NPC1RAB9AMAPT
SCHEMBL1708153 0.86 SMN1; SMN2 (0.40) SMN1; SMN2TP53NPC1RAB9AMAPT
SCHEMBL1708179 0.86 FFAR1 (0.43) SMN1; SMN2TP53NPC1RAB9AMAPT
SCHEMBL1708036 0.85 INSR (0.35) SMN1; SMN2NPC1RAB9AMAPTLMNA

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