SCHEMBL1708438

SCHEMBL1708438

CCc1nc2cc(OC)ccc2n1-c1cccc(CNc2ccc3c(c2)OC(C)[C@H]3OC(C)=O)c1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.38
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
TP53 P04637 4/20 0.35
KDM4E B2RXH2 4/20 0.35
ALDH1A1 P00352 3/20 0.35
HSD17B10 Q99714 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MAPT P10636 12/20 0.34
LMNA P02545 3/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
GAA P10253 4/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL1708155 0.90 NTRK1 (0.37) NPC1RAB9ATP53KDM4EALDH1A1
SCHEMBL1708637 0.90 HPGD (0.37) GFERNPC1RAB9ATP53KDM4E
SCHEMBL1708133 0.90 GFER (0.36) GFERNPC1RAB9ATP53KDM4E
SCHEMBL1708139 0.87 GFER (0.39) GFERNPC1RAB9ATP53KDM4E
SCHEMBL1708026 0.86 BMI1 (0.33) NPC1RAB9ATP53KDM4EALDH1A1
SCHEMBL1707997 0.86 PDE2A (0.33) NPC1RAB9ATP53ALDH1A1SMN1; SMN2
SCHEMBL1708693 0.86 SMN1; SMN2 (0.36) GFERNPC1RAB9ATP53KDM4E
SCHEMBL1708631 0.85 NPC1 (0.35) GFERNPC1RAB9ATP53KDM4E
SCHEMBL1708148 0.85 MTNR1A (0.41) GFERKDM4EALDH1A1HSD17B10MAPT
SCHEMBL1708134 0.85 INSR (0.30) NPC1RAB9AGAAL3MBTL1

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