SCHEMBL29437221

SCHEMBL29437221

Nc1ncnc2c1ncn2C[C@H](CO)OCP(=O)(O)O

nearest known ligand 0.73

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 7/20 0.73
FGFR1 P11362 3/20 0.61
SLC22A6 Q4U2R8 1/20 0.61
ADORA2A P29274 3/20 0.58
AHCY P23526 2/20 0.58
ADORA1 P30542 2/20 0.53
ALDH1A1 P00352 1/20 0.53
CYP2D6 P10635 6/20 0.52
HPRT1 P00492 1/20 0.51

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
SCHEMBL385752 1.00 CYP3A4 (0.73) CYP3A4FGFR1SLC22A6ADORA2AAHCY
SCHEMBL66563 1.00 CYP3A4 (0.73) CYP3A4FGFR1SLC22A6ADORA2AAHCY
SCHEMBL10047654 0.91 CYP3A4 (0.64) CYP3A4FGFR1SLC22A6ADORA2AAHCY
SCHEMBL14669069 0.90 CYP3A4 (0.72) CYP3A4FGFR1SLC22A6ADORA2AAHCY
SCHEMBL2556627 0.90 CYP3A4 (0.72) CYP3A4FGFR1SLC22A6ADORA2AAHCY
SCHEMBL2556635 0.90 CYP3A4 (0.72) CYP3A4FGFR1SLC22A6ADORA2AAHCY
SCHEMBL2928584 0.90 CYP3A4 (0.72) CYP3A4FGFR1SLC22A6ADORA2AAHCY
SCHEMBL12354858 0.90 CYP3A4 (0.62) CYP3A4FGFR1SLC22A6ADORA2AAHCY
SCHEMBL9190527 0.90 CYP3A4 (0.72) CYP3A4FGFR1SLC22A6ADORA2AAHCY
SCHEMBL384145 0.90 CYP3A4 (0.72) CYP3A4FGFR1SLC22A6ADORA2AAHCY

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108486209-B Method for rapidly screening (R) -2- (4-hydroxyphenoxy) propionic acid producing strains in high flux 浙江工业大学 2022-03-18 CN claimed
CN-117448203-A New depsipeptide compound, preparation method and application 浙江大学 2024-01-26 CN disclosed
CN-115955973-A Modified siRNA with reduced off-target activity 上海拓界生物医药科技有限公司 2023-04-11 CN disclosed
CN-108486209-B Method for rapidly screening (R) -2- (4-hydroxyphenoxy) propionic acid producing strains in high flux 浙江工业大学 2022-03-18 CN disclosed
CN-108486209-B Method for rapidly screening (R) -2- (4-hydroxyphenoxy) propionic acid producing strains in high flux 浙江工业大学 2022-03-18 CN disclosed