SCHEMBL28901729

SCHEMBL28901729

Cc1cccc(-c2[nH]c(=S)[nH]c(=O)c2C#N)c1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.70
ACMSD Q8TDX5 2/20 0.64
SIRT1 Q96EB6 1/20 0.47
ALDH1A1 P00352 5/20 0.47
KDM4E B2RXH2 4/20 0.47
HPGD P15428 2/20 0.47
GAA P10253 1/20 0.46
PIM1 P11309 2/20 0.43
CXCR2 P25025 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
ATM Q13315 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
PDE9A O76083 1/20 0.39
PDE1C Q14123 1/20 0.39
BRD4 O60885 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
SCHEMBL19002274 0.86 POLB (0.50) POLBACMSDALDH1A1KDM4EHPGD
SCHEMBL28477518 0.83 ACMSD (0.64) POLBACMSDALDH1A1KDM4EHPGD
SCHEMBL30050428 0.83 ACMSD (0.64) POLBACMSDALDH1A1KDM4EHPGD
SCHEMBL29731504 0.83 ACMSD (0.64) POLBACMSDSIRT1ALDH1A1KDM4E
SCHEMBL28843348 0.83 ACMSD (0.67) POLBACMSDSIRT1KDM4EGAA
SCHEMBL28483299 0.83 ACMSD (0.64) POLBACMSDALDH1A1KDM4EHPGD
SCHEMBL30051338 0.83 ACMSD (0.64) POLBACMSDALDH1A1KDM4EHPGD
SCHEMBL29731230 0.83 ACMSD (0.67) POLBACMSDSIRT1KDM4EGAA
SCHEMBL28481873 0.83 ACMSD (0.64) POLBACMSDSIRT1ALDH1A1KDM4E
SCHEMBL5937494 0.83 ACMSD (0.61) POLBACMSDALDH1A1KDM4EHPGD

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
CN-111961039-B Myricetin derivative containing substituted pyrimidine, preparation method and application thereof 贵州大学 2022-11-08 CN disclosed
CN-111961039-A Myricetin derivative containing substituted pyrimidine, preparation method and application thereof 贵州大学 2020-11-20 CN disclosed