SCHEMBL29616598

SCHEMBL29616598

Nc1nc2c(c(=O)[nH]1)N[C@@H](CN(C=O)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1)CN2

nearest known ligand 0.72

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SOST Q9BQB4 1/20 0.72
GART P22102 6/20 0.70
FPGS Q05932 2/20 0.64
DHFR P00374 3/20 0.59
ATIC P31939 4/20 0.55
TYMS P04818 1/20 0.55
MTHFD2 P13995 2/20 0.54
MTHFD1 P11586 1/20 0.54

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
SCHEMBL12704421 1.00 SOST (0.72) SOSTGARTFPGSDHFRATIC
SCHEMBL258465 1.00 SOST (0.72) SOSTGARTFPGSDHFRATIC
SCHEMBL8061 1.00 SOST (0.72) SOSTGARTFPGSDHFRATIC
SCHEMBL8060 1.00 SOST (0.72) SOSTGARTFPGSDHFRATIC
SCHEMBL13418310 1.00 SOST (0.72) SOSTGARTFPGSDHFRATIC
SCHEMBL3199681 1.00 SOST (0.72) SOSTGARTFPGSDHFRATIC
SCHEMBL5829838 0.96 SOST (0.66) SOSTGARTFPGSDHFRATIC
Tetrahydrofolate SCHEMBL18703989 0.94 SOST (0.82) SOSTGARTFPGSDHFRATIC
SCHEMBL11475679 0.93 SOST (0.62) SOSTGARTFPGSDHFRATIC
SCHEMBL8160135 0.93 SOST (0.71) SOSTGARTFPGSDHFRATIC

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
EP-2773355-B1 METHODS, FORMULATIONS, AND KITS FOR RAPIDLY REPLETING FOLATE LEVELS IN WOMEN SOUTH ALABAMA MEDICAL SCIENCE FOUND (US) 2022-06-08 EP disclosed