SCHEMBL30171464

SCHEMBL30171464

C1=Cc2cccc3c2N(C1)c1ccccc1S3

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.39
NOX1 Q9Y5S8 2/20 0.38
BCHE P06276 7/20 0.36
ACHE P22303 2/20 0.34
MEN1 O00255 1/20 0.34
ADRA2A P08913 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
CHRM3 P20309 1/20 0.34
SLC6A2 P23975 1/20 0.34
HTR2C P28335 1/20 0.34
SLC6A4 P31645 1/20 0.34
DRD3 P35462 1/20 0.34
HTR2B P41595 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NPC1 O15118 1/20 0.34
KDM1A O60341 4/20 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
SCHEMBL15546491 1.00 MAOA (0.39) MAOANOX1BCHEACHEMEN1
SCHEMBL30171468 0.84 MAOA (0.37) MAOANOX1BCHEACHEMEN1
SCHEMBL11826748 0.73 MAOA (0.38) MAOANOX1BCHEACHEMEN1
SCHEMBL30171415 0.72 P2RX4 (0.35) MAOAMEN1KMT2A
SCHEMBL1343091 0.70 MAOA (0.38) MAOANOX1BCHEACHEMEN1
SCHEMBL10623755 0.69 TRPA1 (0.37)
SCHEMBL14380198 0.68 MAOA (0.39) MAOANOX1BCHEACHEKDM1A
SCHEMBL14244233 0.67 MAOA (0.54) MAOANOX1BCHEACHEMEN1
SCHEMBL29824891 0.67 MAOA (0.54) MAOANOX1BCHEACHEMEN1
SCHEMBL6228672 0.66

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
WO-2023282236-A1 RARE EARTH COMPLEX 東ソー株式会社 2023-01-12 WO disclosed