SCHEMBL6864575

SCHEMBL6864575

Cc1nc(-c2cccc3nn(Cc4cccc(C(F)(F)F)c4)cc23)sc1C(N)=O

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 12/20 0.52
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 2/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
GAA P10253 1/20 0.40
ATM Q13315 1/20 0.39
TEC P42680 1/20 0.39
TXK P42681 1/20 0.39
BMX P51813 1/20 0.39
BTK Q06187 1/20 0.39
PTGER4 P35408 1/20 0.38
ICMT O60725 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
SCHEMBL13506153 0.92 SMN1; SMN2 (0.54) GPR52ALDH1A1SMN1; SMN2NPC1MAPT
SCHEMBL6864511 0.91 GPR52 (0.44) GPR52ALDH1A1SMN1; SMN2NPC1MAPT
SCHEMBL6864277 0.89 GPR52 (0.53) GPR52ALDH1A1SMN1; SMN2NPC1MAPT
SCHEMBL13505649 0.89 GPR52 (0.50) GPR52ALDH1A1SMN1; SMN2NPC1MAPT
SCHEMBL6864264 0.87 GPR52 (0.67) GPR52
SCHEMBL13505964 0.84 GPR52 (0.53) GPR52ALDH1A1SMN1; SMN2MAPTPTGER4
SCHEMBL13505755 0.83 GPR52 (0.49) GPR52ALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL13506388 0.83 SMN1; SMN2 (0.47) GPR52ALDH1A1SMN1; SMN2NPC1MAPT
SCHEMBL13506443 0.82 GPR52 (0.42) GPR52GAA
SCHEMBL13505402 0.80 MAPT (0.43) 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