SCHEMBL1708002

SCHEMBL1708002

CCOc1nc2ccccc2n1-c1cccc2c1OC[C@@H]2Nc1ccc2c(c1)OC[C@H]2OC(C)=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.36
ALDH1A1 P00352 7/20 0.36
MAPK1 P28482 5/20 0.36
L3MBTL1 Q9Y468 2/20 0.34
LMNA P02545 2/20 0.33
TSHR P16473 3/20 0.33
NTRK1 P04629 1/20 0.33
NTRK2 Q16620 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
RAB9A P51151 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
HTT P42858 3/20 0.32
POLB P06746 1/20 0.31
HPGD P15428 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
GUCY1A1 Q02108 1/20 0.31
GUCY1B1 Q02153 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL1708617 1.00 MAPT (0.36) MAPTALDH1A1MAPK1L3MBTL1LMNA
SCHEMBL1708698 0.99 MAPT (0.35) MAPTALDH1A1MAPK1L3MBTL1LMNA
SCHEMBL1707971 0.92 MAPT (0.34) MAPTALDH1A1MAPK1LMNANTRK1
SCHEMBL1708269 0.92 MAPT (0.34) MAPTALDH1A1MAPK1LMNANTRK1
SCHEMBL1708163 0.91 MAPT (0.34) MAPTALDH1A1MAPK1LMNANTRK1
SCHEMBL1708377 0.91 ALDH1A1 (0.33) MAPTALDH1A1MAPK1
SCHEMBL1708675 0.90 ALDH1A1 (0.33) MAPTALDH1A1MAPK1
SCHEMBL1708168 0.90 NTRK1 (0.36) MAPTALDH1A1MAPK1L3MBTL1LMNA
SCHEMBL1707942 0.90 NTRK1 (0.36) MAPTALDH1A1MAPK1L3MBTL1LMNA
SCHEMBL1708425 0.89 NTRK1 (0.36) MAPTALDH1A1MAPK1L3MBTL1LMNA

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