SCHEMBL1708668

SCHEMBL1708668

O=C(O)C[C@@H]1OCc2cc(N[C@@H]3COc4c3cccc4-n3c(C4CCOCC4)nc4ccc(F)cc43)ccc21

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.33
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
BMI1 P35226 2/20 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
SCHEMBL1708707 0.88 FFAR1 (0.32) SMN1; SMN2
SCHEMBL1708393 0.87 PPARD (0.35) SCN9A
SCHEMBL1708682 0.87 BMI1 (0.32) BMI1
SCHEMBL1708708 0.86 HTR1A (0.32)
SCHEMBL1708685 0.85 FFAR1 (0.32)
SCHEMBL1708671 0.85 KDR (0.31)
SCHEMBL1708716 0.83
SCHEMBL1708055 0.82 SCN9A (0.33) SCN9ABMI1
SCHEMBL1708717 0.79 TSHR (0.34) LMNATP53MAPK1SMN1; SMN2
SCHEMBL1708723 0.79 FFAR1 (0.32)

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