SCHEMBL6864668

SCHEMBL6864668

Cc1nc(-c2cccc3oc(Cc4cccc(C(F)(F)F)c4)cc23)sc1C(N)=O

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 14/20 0.51
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 2/20 0.42
MAPT P10636 2/20 0.42
HPGD P15428 1/20 0.42
RAB9A P51151 1/20 0.42
GAA P10253 2/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PPARA Q07869 1/20 0.38

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
SCHEMBL13505716 0.92 SMN1; SMN2 (0.57) GPR52ALDH1A1SMN1; SMN2NPC1MAPT
SCHEMBL6864601 0.89 GPR52 (0.53) GPR52ALDH1A1SMN1; SMN2NPC1MAPT
SCHEMBL13505788 0.88 MAPT (0.51) GPR52ALDH1A1SMN1; SMN2NPC1MAPT
SCHEMBL6863606 0.86 GPR52 (0.67) GPR52ALDH1A1SMN1; SMN2PPARA
SCHEMBL6863562 0.81 GPR52 (0.56) GPR52ALDH1A1SMN1; SMN2
SCHEMBL1849568 0.78 GPR52 (0.73) GPR52
SCHEMBL6864575 0.78 GPR52 (0.52) GPR52ALDH1A1SMN1; SMN2NPC1MAPT
SCHEMBL6864272 0.75 GPR52 (0.50) GPR52
SCHEMBL1850960 0.74 GPR52 (0.57) GPR52
SCHEMBL13505468 0.73 GPR52 (0.69) GPR52ALDH1A1SMN1; SMN2NPC1MAPT

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-2518054-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2012-10-31 EP disclosed
WO-2011078360-A1 AMIDE COMPOUND 武田薬品工業株式会社 (JP) 2011-06-30 WO disclosed