SCHEMBL1708303

SCHEMBL1708303

COc1ccc2nc(C)n(-c3cccc(CNc4ccc5c(c4)OC[C@H]5OC(C)=O)c3C)c2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.37
GFER P55789 1/20 0.37
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
NPC1 O15118 6/20 0.35
RAB9A P51151 6/20 0.35
MAPT P10636 5/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 4/20 0.34
TP53 P04637 3/20 0.34
HTT P42858 2/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
POLB P06746 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP2C19 P33261 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL1708284 0.92 MAPT (0.36) SMN1; SMN2NPC1RAB9AMAPTKMT2A
SCHEMBL1708680 0.91 MTNR1A (0.39) SMN1; SMN2NPC1RAB9AMAPTKMT2A
SCHEMBL1708268 0.90 SMN1; SMN2 (0.35) SMN1; SMN2NPC1RAB9AMAPTKMT2A
SCHEMBL1708070 0.87 LMNA (0.40) SMN1; SMN2NPC1RAB9AMAPTKMT2A
SCHEMBL1708693 0.87 SMN1; SMN2 (0.36) SMN1; SMN2GFERNPC1RAB9AMAPT
SCHEMBL1708140 0.87 FFAR1 (0.38) SMN1; SMN2GFERPIK3CDPIK3CAPIK3CB
SCHEMBL1708302 0.87 FFAR1 (0.43)
SCHEMBL1708180 0.86 SMN1; SMN2 (0.40) SMN1; SMN2NPC1RAB9AMAPTKMT2A
SCHEMBL1707875 0.86 HPGD (0.37) SMN1; SMN2GFERNPC1RAB9AMAPT
SCHEMBL1708139 0.85 GFER (0.39) SMN1; SMN2GFERPIK3CDPIK3CAPIK3CB

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