SCHEMBL1707845

SCHEMBL1707845

CC(=O)O[C@H]1c2ccc(NCc3cccc(-c4c(C)oc5ncccc45)c3C)cc2OC1C

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
MAPT P10636 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
INSR P06213 1/20 0.31
IGF1R P08069 1/20 0.31
HDAC6 Q9UBN7 1/20 0.30

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
SCHEMBL1708201 0.88 PDCD1 (0.33) PDCD1CD274MAPTKDM4EALDH1A1
SCHEMBL1708220 0.85 INSR (0.35) PDCD1CD274MAPTKDM4EALDH1A1
SCHEMBL13046592 0.79 FFAR1 (0.40) PDCD1CD274
SCHEMBL1707908 0.78 CD274 (0.41) PDCD1CD274KMT2A
SCHEMBL1708219 0.78 FFAR1 (0.46)
SCHEMBL1708437 0.78 PDCD1 (0.33) PDCD1CD274
SCHEMBL1707949 0.77 PDCD1 (0.36) PDCD1CD274MAPTINSRIGF1R
SCHEMBL1708101 0.77 RORC (0.33) PDCD1CD274
SCHEMBL10291553 0.76 FFAR1 (0.37) MAPTKDM4EALDH1A1KMT2ATDP1
SCHEMBL1707867 0.75 ALDH1A1 (0.40) PDCD1CD274MAPTKDM4EALDH1A1

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