SCHEMBL30050428

SCHEMBL30050428

N#Cc1c(-c2cccc(Br)c2)[nH]c(=S)[nH]c1=O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACMSD Q8TDX5 2/20 0.64
POLB P06746 2/20 0.58
KDM4E B2RXH2 6/20 0.49
ALDH1A1 P00352 5/20 0.49
GAA P10253 3/20 0.49
GLA P06280 2/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
PLA2G1B P04054 1/20 0.49
MAPT P10636 1/20 0.49
RECQL P46063 1/20 0.49
BLM P54132 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ATG4B Q9Y4P1 1/20 0.49
BIRC5 O15392 1/20 0.43
PIM1 P11309 1/20 0.43
ATM Q13315 1/20 0.40
MAP2K1 Q02750 1/20 0.40
RXFP1 Q9HBX9 2/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL28483299 1.00 ACMSD (0.64) ACMSDPOLBKDM4EALDH1A1GAA
SCHEMBL28481873 0.83 ACMSD (0.64) ACMSDPOLBKDM4EALDH1A1GAA
SCHEMBL28843348 0.83 ACMSD (0.67) ACMSDPOLBKDM4EGAABIRC5
SCHEMBL29731504 0.83 ACMSD (0.64) ACMSDPOLBKDM4EALDH1A1GAA
SCHEMBL28901729 0.83 POLB (0.70) ACMSDPOLBKDM4EALDH1A1GAA
SCHEMBL28477518 0.83 ACMSD (0.64) ACMSDPOLBKDM4EALDH1A1GAA
SCHEMBL29731230 0.83 ACMSD (0.67) ACMSDPOLBKDM4EGAABIRC5
SCHEMBL30051338 0.83 ACMSD (0.64) ACMSDPOLBKDM4EALDH1A1GAA
SCHEMBL28481872 0.82 POLB (0.73) ACMSDPOLBKMT2AMEN1PLA2G1B
SCHEMBL17550131 0.82 POLB (0.72) ACMSDPOLBKDM4EALDH1A1GAA

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
CN-111961039-B Myricetin derivative containing substituted pyrimidine, preparation method and application thereof 贵州大学 2022-11-08 CN disclosed