SCHEMBL30171468

SCHEMBL30171468

[2H]C1C=Cc2cccc3c2N1c1ccccc1S3

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.37
NOX1 Q9Y5S8 2/20 0.36
BCHE P06276 7/20 0.34
KDM1A O60341 4/20 0.34
NPC1 O15118 1/20 0.33
ACHE P22303 2/20 0.33
MEN1 O00255 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
CHRM3 P20309 1/20 0.33
SLC6A2 P23975 1/20 0.33
HTR2C P28335 1/20 0.33
SLC6A4 P31645 1/20 0.33
DRD3 P35462 1/20 0.33
HTR2B P41595 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HDAC1 Q13547 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31

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 0.84 MAOA (0.39) MAOANOX1BCHEKDM1ANPC1
SCHEMBL30171464 0.84 MAOA (0.39) MAOANOX1BCHEKDM1ANPC1
SCHEMBL11826748 0.71 MAOA (0.38) MAOANOX1BCHEKDM1ANPC1
SCHEMBL14380198 0.66 MAOA (0.39) MAOANOX1BCHEKDM1AACHE
SCHEMBL29824891 0.65 MAOA (0.54) MAOANOX1BCHEKDM1AACHE
SCHEMBL14244233 0.65 MAOA (0.54) MAOANOX1BCHEKDM1AACHE
SCHEMBL29911307 0.63 P2RX4 (0.34) MEN1ADRA2AADRA2BADRA2CSLC6A2
SCHEMBL13382361 0.61 MAOA (0.44) MAOANOX1KDM1ANPC1MEN1
SCHEMBL2609255 0.61 ALDH1A1 (0.43) MAOANOX1BCHENPC1ACHE
SCHEMBL149996 0.60 MAOA (0.44) MAOANOX1BCHEKDM1AACHE

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