SCHEMBL30488609

SCHEMBL30488609

O=c1[nH]c(=O)n(CCCO)c2nc[nH]c12

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 9/20 0.74
PDE4B Q07343 9/20 0.74
PDE4C Q08493 9/20 0.74
PDE4D Q08499 9/20 0.74
ADORA2A P29274 8/20 0.74
ADORA2B P29275 6/20 0.69
ADORA3 P0DMS8 2/20 0.69
HPGD P15428 2/20 0.69
ADORA1 P30542 1/20 0.69
BLM P54132 1/20 0.69
PDE3A Q14432 1/20 0.69
HSD17B10 Q99714 1/20 0.69
PNP P00491 1/20 0.58
MPO P05164 1/20 0.44
TPO P07202 1/20 0.44
ALDH1A1 P00352 1/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL3699117 0.91 PDE4A (0.73) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL7602847 0.85 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL9791629 0.83 PDE4A (0.89) PDE4APDE4BPDE4CPDE4DADORA2A
Enprofylline SCHEMBL156402 0.82 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DADORA2A
Enprofylline SCHEMBL1817246 0.82 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL5515323 0.81 ADORA2A (0.71) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL10360644 0.80 PDE4A (0.67) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL7466316 0.78 ADORA2A (1.00) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL383123 0.78 ADORA2A (0.72) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL19370607 0.77 PDE4A (0.64) PDE4APDE4BPDE4CPDE4DADORA2A

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-116492457-A Lowering systemic regulatory T cell levels or activity for treatment of diseases and injuries of the central nervous system 耶达研究与开发有限公司 2023-07-28 CN disclosed
CN-108348607-B Lowering systemic regulatory T cell levels or activity for treatment of diseases and injuries of the central nervous system 耶达研究与开发有限公司 2023-06-23 CN disclosed