SCHEMBL1708014

SCHEMBL1708014

CCOc1nc2ccccc2n1-c1cccc(CNc2ccc3c(c2)OC[C@H]3OC(C)=O)c1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.35
ALDH1A1 P00352 5/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
LMNA P02545 2/20 0.35
MAPK1 P28482 3/20 0.34
TSHR P16473 2/20 0.34
NTRK1 P04629 1/20 0.34
NTRK2 Q16620 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
RAB9A P51151 3/20 0.33
FFAR1 O14842 2/20 0.33
NPC1 O15118 2/20 0.33
HTT P42858 2/20 0.33
INSR P06213 1/20 0.33
IGF1R P08069 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
GAA P10253 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
HPGD P15428 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
SCHEMBL1708622 0.93 TSHR (0.35) MAPTALDH1A1L3MBTL1LMNAMAPK1
SCHEMBL1708680 0.91 MTNR1A (0.39) MAPTALDH1A1MAPK1SMN1; SMN2RAB9A
SCHEMBL1708241 0.90 NTRK1 (0.38) MAPTALDH1A1L3MBTL1LMNAMAPK1
SCHEMBL1708105 0.90 NTRK1 (0.38) MAPTALDH1A1L3MBTL1LMNAMAPK1
SCHEMBL3796829 0.87 NTRK1 (0.36) MAPTALDH1A1L3MBTL1LMNAMAPK1
SCHEMBL1708013 0.87 FFAR1 (0.47) FFAR1
SCHEMBL1708113 0.86 FFAR1 (0.40) MAPTALDH1A1L3MBTL1LMNAMAPK1
SCHEMBL1708111 0.85 NPC1 (0.33) MAPTALDH1A1L3MBTL1LMNAMAPK1
SCHEMBL1708070 0.83 LMNA (0.40) MAPTALDH1A1LMNAMAPK1SMN1; SMN2
SCHEMBL1708284 0.83 MAPT (0.36) MAPTALDH1A1LMNAMAPK1TSHR

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