SCHEMBL3717530

SCHEMBL3717530

CC(=O)O[C@@H]1COc2cc(NCc3cccc(-c4c(C)oc5cccnc45)c3C)ccc21

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.35
CD274 Q9NZQ7 6/20 0.34
PDCD1 Q15116 4/20 0.34
P2RX7 Q99572 2/20 0.34
INSR P06213 1/20 0.33
IGF1R P08069 1/20 0.33
MAPT P10636 4/20 0.32
GAA P10253 2/20 0.32
HDAC6 Q9UBN7 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
RAB9A P51151 1/20 0.31
PDE1A P54750 1/20 0.31
PDE1B Q01064 1/20 0.31
PDE1C Q14123 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
SCHEMBL1708220 0.88 INSR (0.35) FFAR1CD274PDCD1P2RX7INSR
SCHEMBL13046194 0.87 FFAR1 (0.42) FFAR1CD274PDCD1
SCHEMBL3721709 0.87 FFAR1 (0.46) FFAR1
SCHEMBL1708201 0.85 PDCD1 (0.33) CD274PDCD1MAPTHDAC6KDM4E
SCHEMBL10291390 0.83 FFAR1 (0.38) FFAR1CD274PDCD1P2RX7MAPT
SCHEMBL1708584 0.78 CD274 (0.41) CD274PDCD1
SCHEMBL1707921 0.78 CD274 (0.34) FFAR1CD274PDCD1P2RX7INSR
SCHEMBL1708447 0.78 CD274 (0.33) FFAR1CD274PDCD1P2RX7INSR
SCHEMBL1708296 0.78 CD274 (0.34) FFAR1CD274PDCD1P2RX7INSR
SCHEMBL1708348 0.77 GAA (0.39) CD274MAPTGAAKDM4EALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010143733-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-16 WO disclosed