SCHEMBL28206357

SCHEMBL28206357

Nc1nc2c(c(=O)[nH]1)NC(CNc1ccc(C(=O)NC(CC(N)C(=O)O)C(=O)O)cc1)CN2

nearest known ligand 0.79

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SOST Q9BQB4 1/20 0.79
▸ FPGS Q05932 2/20 0.78
▸ GART P22102 5/20 0.59
▸ DHFR P00374 1/20 0.53
▸ ATIC P31939 2/20 0.51
▸ MTHFD1 P11586 2/20 0.49
▸ NOS1 P29475 2/20 0.48
▸ NOS3 P29474 1/20 0.48
▸ NOS2 P35228 1/20 0.48
▸ LMNA P02545 1/20 0.47
▸ MTHFD2 P13995 2/20 0.45

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
SCHEMBL50298 0.91 SOST (0.78) SOSTFPGSGARTDHFRATIC
SCHEMBL15121249 0.91 SOST (0.78) SOSTFPGSGARTDHFRATIC
SCHEMBL3953439 0.91 SOST (0.78) SOSTFPGSGARTDHFRATIC
SCHEMBL716106 0.91 SOST (0.78) SOSTFPGSGARTDHFRATIC
SCHEMBL27708884 0.90 SOST (0.77) SOSTFPGSGARTDHFRATIC
SCHEMBL4126044 0.90 SOST (0.77) SOSTFPGSGARTDHFRATIC
SCHEMBL28469783 0.90 SOST (0.77) SOSTFPGSGARTDHFRATIC
Tetrahydrofolate SCHEMBL23630632 0.90 SOST (0.92) SOSTFPGSGARTDHFRATIC
Tetrahydrofolate SCHEMBL4628326 0.90 SOST (0.92) SOSTFPGSGARTDHFRATIC
Tetrahydrofolate SCHEMBL21248573 0.90 SOST (0.92) SOSTFPGSGARTDHFRATIC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107892692-A The preparation method and applications of (6S) 5 methyl tetrahydrofolate zinc salt 华东理工大学 2018-04-10 — — CN claimed
CN-107892692-A The preparation method and applications of (6S) 5 methyl tetrahydrofolate zinc salt 华东理工大学 2018-04-10 — — CN disclosed
CN-107892692-A The preparation method and applications of (6S) 5 methyl tetrahydrofolate zinc salt 华东理工大学 2018-04-10 — — CN disclosed
CN-107698591-A (6S) -5-methyltetrahydrofolate zinc salt crystal formation and preparation method thereof 上海华理生物医药有限公司 2018-02-16 — — CN disclosed
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