SCHEMBL1851680

SCHEMBL1851680

CCOC(=O)c1cccc(-c2cccc3nn(Cc4ccccc4)cc23)c1.O=C(O)c1cccc(-c2cccc3nn(Cc4ccccc4)cc23)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 1/20 0.51
JMJD6 Q6NYC1 2/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
ALDH1A1 P00352 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
MAPT P10636 1/20 0.46
LMNA P02545 2/20 0.45
HTT P42858 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
POLB P06746 1/20 0.44
F2RL3 Q96RI0 2/20 0.44
ALOX15 P16050 1/20 0.43
CYP19A1 P11511 1/20 0.42
KMT2A Q03164 1/20 0.42
PTGER1 P34995 1/20 0.41
FABP3 P05413 1/20 0.41
FABP4 P15090 1/20 0.41
FABP5 Q01469 1/20 0.41

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
SCHEMBL1856096 0.97 GPR52 (0.54) GPR52JMJD6SMN1; SMN2ALDH1A1NPC1
SCHEMBL1854994 0.92 GPR52 (0.52) GPR52JMJD6SMN1; SMN2ALDH1A1NPC1
SCHEMBL3211059 0.90 GPR52 (0.57) GPR52SMN1; SMN2NPC1RAB9AHTT
SCHEMBL1852588 0.90 GPR52 (0.53) GPR52JMJD6SMN1; SMN2ALDH1A1NPC1
SCHEMBL1851300 0.89 GPR52 (0.47) GPR52JMJD6SMN1; SMN2ALDH1A1NPC1
SCHEMBL1849364 0.89 GPR52 (0.51) GPR52JMJD6SMN1; SMN2ALDH1A1
SCHEMBL3215484 0.88 GPR52 (0.55) GPR52JMJD6SMN1; SMN2ALDH1A1NPC1
SCHEMBL1850607 0.87 GPR52 (0.52) GPR52SMN1; SMN2ALDH1A1MAPTKMT2A
SCHEMBL1851194 0.86 GPR52 (0.70) GPR52JMJD6SMN1; SMN2ALDH1A1MAPT
SCHEMBL1849196 0.85 GPR52 (0.52) GPR52JMJD6SMN1; SMN2ALDH1A1

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-2323978-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-05-25 EP disclosed
WO-2010018874-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 WO disclosed