SCHEMBL1707949

SCHEMBL1707949

CC(=O)O[C@H]1c2ccc(NCc3cccc(-c4cc(C)sc4C)c3C)cc2OC1C

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 5/20 0.36
CD274 Q9NZQ7 5/20 0.36
POLB P06746 1/20 0.33
INSR P06213 1/20 0.32
IGF1R P08069 1/20 0.32
HAO1 Q9UJM8 1/20 0.31
MAPT P10636 2/20 0.30
GAA P10253 1/20 0.30
RAB9A P51151 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
SCHEMBL1708208 0.91 HAO1 (0.32) PDCD1CD274POLBINSRIGF1R
SCHEMBL1707908 0.81 CD274 (0.41) PDCD1CD274RAB9A
SCHEMBL1708437 0.80 PDCD1 (0.33) PDCD1CD274HAO1
SCHEMBL1707867 0.79 ALDH1A1 (0.40) PDCD1CD274POLBINSRIGF1R
SCHEMBL1708332 0.78 ALDH1A1 (0.32) PDCD1CD274POLBINSRIGF1R
SCHEMBL1708101 0.77 RORC (0.33) PDCD1CD274
SCHEMBL1708201 0.77 PDCD1 (0.33) PDCD1CD274MAPT
SCHEMBL1707845 0.77 PDCD1 (0.33) PDCD1CD274INSRIGF1RMAPT
SCHEMBL1708462 0.77 SMN1; SMN2 (0.37) PDCD1CD274MAPTGAARAB9A
SCHEMBL1707964 0.75 INSR (0.36) PDCD1CD274INSRIGF1RHAO1

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