SCHEMBL1708036

SCHEMBL1708036

CC(=O)O[C@@H]1COc2cc(NCc3cccc(-n4c(C)nc5c(C)cccc54)c3C)ccc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
INSR P06213 1/20 0.35
IGF1R P08069 1/20 0.35
MAPT P10636 6/20 0.33
ALDH1A1 P00352 4/20 0.33
LMNA P02545 2/20 0.33
TSHR P16473 2/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
GAA P10253 3/20 0.32
KDM4E B2RXH2 3/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
USP2 O75604 2/20 0.32
CASP1 P29466 2/20 0.32
HBB P68871 2/20 0.32
RAB9A P51151 2/20 0.32
FFAR1 O14842 2/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
MAPK1 P28482 2/20 0.32
THRB P10828 1/20 0.32

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
SCHEMBL1708070 0.87 LMNA (0.40) INSRIGF1RMAPTALDH1A1LMNA
SCHEMBL1708284 0.87 MAPT (0.36) INSRIGF1RMAPTALDH1A1LMNA
SCHEMBL1708180 0.85 SMN1; SMN2 (0.40) INSRIGF1RMAPTALDH1A1LMNA
SCHEMBL1708268 0.85 SMN1; SMN2 (0.35) INSRIGF1RMAPTLMNATSHR
SCHEMBL1708245 0.85 FFAR1 (0.39) LMNAGAAFFAR1
SCHEMBL1708035 0.85 FFAR1 (0.44) FFAR1
SCHEMBL1708303 0.85 SMN1; SMN2 (0.37) MAPTALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL1708244 0.84 NPC1 (0.32) INSRIGF1RMAPTALDH1A1LMNA
SCHEMBL10012713 0.84 FFAR1 (0.43) FFAR1
SCHEMBL1708241 0.84 NTRK1 (0.38) INSRIGF1RMAPTALDH1A1LMNA

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