SCHEMBL1708101

SCHEMBL1708101

CC(=O)O[C@H]1c2ccc(NCc3cccc(-c4c(C)nn(C(F)F)c4C)c3C)cc2OC1C

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.33
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
EED O75530 1/20 0.30
SUZ12 Q15022 1/20 0.30
EZH2 Q15910 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
SCHEMBL1708277 0.89 RORC (0.33) RORC
SCHEMBL1708296 0.85 CD274 (0.34) RORCPDCD1CD274EEDSUZ12
SCHEMBL1708437 0.84 PDCD1 (0.33) PDCD1CD274
SCHEMBL1707926 0.80 RORC (0.32) RORC
SCHEMBL1708103 0.79 FFAR1 (0.39) PDCD1CD274
SCHEMBL1708294 0.78 FFAR1 (0.45)
SCHEMBL1707949 0.77 PDCD1 (0.36) PDCD1CD274
SCHEMBL1707845 0.77 PDCD1 (0.33) PDCD1CD274
SCHEMBL1708201 0.77 PDCD1 (0.33) PDCD1CD274
SCHEMBL1708462 0.77 SMN1; SMN2 (0.37) RORCPDCD1CD274

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