SCHEMBL1708642

SCHEMBL1708642

CC(=O)O[C@@H]1COc2cc(NCc3cccc(-n4cnc5cccc(C)c54)c3C)ccc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.35
KDM4E B2RXH2 3/20 0.35
TDP1 Q9NUW8 1/20 0.35
GPR55 Q9Y2T6 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 4/20 0.35
TSHR P16473 2/20 0.35
LMNA P02545 1/20 0.35
INSR P06213 1/20 0.35
IGF1R P08069 1/20 0.35
CYP1A2 P05177 1/20 0.34
POLB P06746 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
FFAR1 O14842 2/20 0.33
TP53 P04637 1/20 0.33
SMN1; SMN2 Q16637 3/20 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
SCHEMBL1708255 0.85 FFAR1 (0.40) MAPTKDM4ETDP1GPR55L3MBTL1
SCHEMBL1708640 0.85 FFAR1 (0.46) FFAR1
SCHEMBL1708363 0.85 INSR (0.34) MAPTKDM4EL3MBTL1ALDH1A1TSHR
SCHEMBL1708254 0.84 MAPT (0.37) MAPTKDM4ETDP1GPR55L3MBTL1
SCHEMBL1708036 0.80 INSR (0.35) MAPTKDM4EL3MBTL1ALDH1A1TSHR
SCHEMBL1708241 0.79 NTRK1 (0.38) MAPTKDM4ETDP1L3MBTL1ALDH1A1
SCHEMBL1708014 0.79 MAPT (0.35) MAPTTDP1L3MBTL1ALDH1A1TSHR
SCHEMBL1708105 0.79 NTRK1 (0.38) MAPTKDM4ETDP1L3MBTL1ALDH1A1
SCHEMBL1708622 0.79 TSHR (0.35) MAPTKDM4ETDP1GPR55L3MBTL1
SCHEMBL1708070 0.78 LMNA (0.40) MAPTKDM4ETDP1ALDH1A1LMNA

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