SCHEMBL6866519

SCHEMBL6866519

Cc1ccccc1NC(=S)N[C@H]1CC[C@@H](Nc2nc3c(c(N(C)C)n2)CCCC3)CC1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.45
ALOX12 P18054 2/20 0.45
LMNA P02545 1/20 0.45
ALDH1A1 P00352 4/20 0.44
MAPT P10636 1/20 0.42
MCHR1 Q99705 5/20 0.40
ADRA2A P08913 4/20 0.40
HTT P42858 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 1/20 0.39
HRH1 P35367 2/20 0.39
HTR2B P41595 2/20 0.39
ADRA1A P35348 1/20 0.39

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
SCHEMBL6866523 1.00 GAA (0.45) GAAALOX12LMNAALDH1A1MAPT
SCHEMBL6876814 0.93 GAA (0.55) GAAALOX12LMNAALDH1A1MAPT
SCHEMBL6876816 0.93 GAA (0.55) GAAALOX12LMNAALDH1A1MAPT
SCHEMBL6877748 0.90 MCHR1 (0.46) GAAALOX12LMNAALDH1A1MCHR1
SCHEMBL6868723 0.90 MCHR1 (0.40) GAAALOX12LMNAALDH1A1MCHR1
SCHEMBL6869133 0.90 LMNA (0.39) GAAALOX12LMNAALDH1A1MCHR1
SCHEMBL6877751 0.90 MCHR1 (0.46) GAAALOX12LMNAALDH1A1MCHR1
SCHEMBL6872717 0.90 ALDH1A1 (0.52) GAAALOX12LMNAALDH1A1MCHR1
SCHEMBL6868714 0.90 MCHR1 (0.40) GAAALOX12LMNAALDH1A1MCHR1
SCHEMBL6869128 0.90 LMNA (0.39) GAAALOX12LMNAALDH1A1MCHR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 EP disclosed