SCHEMBL1708070

SCHEMBL1708070

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
TP53 P04637 2/20 0.37
NPC1 O15118 3/20 0.36
RAB9A P51151 2/20 0.36
MAPT P10636 4/20 0.36
KDM4E B2RXH2 3/20 0.36
MEN1 O00255 3/20 0.36
ALDH1A1 P00352 3/20 0.36
KMT2A Q03164 3/20 0.36
USP2 O75604 3/20 0.36
GAA P10253 2/20 0.36
CASP1 P29466 2/20 0.36
HBB P68871 2/20 0.36
HTT P42858 2/20 0.34
HPGD P15428 2/20 0.34
INSR P06213 1/20 0.34
IGF1R P08069 1/20 0.34
PKM P14618 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL1708284 0.94 MAPT (0.36) LMNASMN1; SMN2TP53NPC1RAB9A
SCHEMBL1708180 0.92 SMN1; SMN2 (0.40) LMNASMN1; SMN2TP53NPC1RAB9A
SCHEMBL1708268 0.88 SMN1; SMN2 (0.35) LMNASMN1; SMN2TP53NPC1RAB9A
SCHEMBL1708303 0.87 SMN1; SMN2 (0.37) LMNASMN1; SMN2TP53NPC1RAB9A
SCHEMBL1708036 0.87 INSR (0.35) LMNASMN1; SMN2NPC1RAB9AMAPT
SCHEMBL1708095 0.85 SMN1; SMN2 (0.39) LMNASMN1; SMN2TP53NPC1RAB9A
SCHEMBL1708067 0.85 FFAR1 (0.44) LMNASMN1; SMN2
SCHEMBL1708093 0.85 NPC1 (0.38) LMNASMN1; SMN2TP53NPC1RAB9A
SCHEMBL1708297 0.85 TSHR (0.38) LMNASMN1; SMN2TP53NPC1RAB9A
SCHEMBL1708241 0.85 NTRK1 (0.38) LMNASMN1; SMN2NPC1RAB9AMAPT

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