SCHEMBL29616604

SCHEMBL29616604

N=CN1c2c(nc(N)[nH]c2=O)NC[C@H]1CNc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1

nearest known ligand 0.87

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.87
MTHFD1 P11586 3/20 0.70
LMNA P02545 1/20 0.69
SOST Q9BQB4 1/20 0.66
MTHFD2 P13995 3/20 0.61
FPGS Q05932 2/20 0.59
TYMS P04818 1/20 0.55
GART P22102 5/20 0.54
ATIC P31939 2/20 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
SCHEMBL13418314 1.00 DHFR (0.87) DHFRMTHFD1LMNASOSTMTHFD2
SCHEMBL258924 1.00 DHFR (0.87) DHFRMTHFD1LMNASOSTMTHFD2
SCHEMBL188064 1.00 DHFR (0.87) DHFRMTHFD1LMNASOSTMTHFD2
SCHEMBL3181068 1.00 DHFR (0.87) DHFRMTHFD1LMNASOSTMTHFD2
Leucovorin SCHEMBL3031362 0.93 DHFR (1.00) DHFRMTHFD1LMNASOSTMTHFD2
Folinic Acid SCHEMBL29616563 0.93 DHFR (1.00) DHFRMTHFD1LMNASOSTMTHFD2
Folinic Acid SCHEMBL21498299 0.93 DHFR (1.00) DHFRMTHFD1LMNASOSTMTHFD2
Leucovorin SCHEMBL29385578 0.93 DHFR (1.00) DHFRMTHFD1LMNASOSTMTHFD2
Leucovorin SCHEMBL36113 0.93 DHFR (1.00) DHFRMTHFD1LMNASOSTMTHFD2
Leucovorin SCHEMBL29379632 0.93 DHFR (1.00) DHFRMTHFD1LMNASOSTMTHFD2

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