SCHEMBL1707964

SCHEMBL1707964

CC(=O)O[C@@H]1COc2cc(NCc3cccc(-c4cc(C)sc4C)c3F)ccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
INSR P06213 1/20 0.36
IGF1R P08069 1/20 0.36
GAA P10253 3/20 0.33
MAPT P10636 3/20 0.33
RAB9A P51151 1/20 0.33
FFAR1 O14842 2/20 0.33
KDM4C Q9H3R0 4/20 0.33
CD274 Q9NZQ7 3/20 0.32
HAO1 Q9UJM8 1/20 0.32
TRPC3 Q13507 1/20 0.32
TRPC6 Q9Y210 1/20 0.32
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
CASP1 P29466 1/20 0.31
HBB P68871 1/20 0.31
KMT2A Q03164 1/20 0.31
ROCK2 O75116 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL10291784 0.85 FFAR1 (0.39) FFAR1
SCHEMBL1707963 0.84 FFAR1 (0.45) FFAR1
SCHEMBL1708208 0.84 HAO1 (0.32) INSRIGF1RFFAR1CD274HAO1
SCHEMBL1707749 0.77 MAPT (0.34) MAPTCD274KDM4EALDH1A1SMN1; SMN2
SCHEMBL1707921 0.77 CD274 (0.34) INSRIGF1RGAAMAPTRAB9A
SCHEMBL1708447 0.77 CD274 (0.33) INSRIGF1RGAAMAPTRAB9A
SCHEMBL1708297 0.77 TSHR (0.38) INSRIGF1RGAAMAPTRAB9A
SCHEMBL10291219 0.76 FFAR1 (0.40) FFAR1CD274PDCD1
SCHEMBL1708584 0.76 CD274 (0.41) CD274PDCD1
SCHEMBL10010387 0.76 FFAR1 (0.46) FFAR1

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