SCHEMBL21343009

SCHEMBL21343009

Nc1nc2[nH]cc(CN[C@@H]3C=C[C@H](O)[C@@H]3O)c2c(=O)[nH]1

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TYMS P04818 8/20 0.41
▸ FOLR1 P15328 1/20 0.39
▸ SLC19A1 P41440 1/20 0.39
▸ SLC46A1 Q96NT5 1/20 0.39

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
SCHEMBL19929101 1.00 TYMS (0.41) TYMSFOLR1SLC19A1SLC46A1
SCHEMBL19929270 1.00 TYMS (0.41) TYMSFOLR1SLC19A1SLC46A1
SCHEMBL19929273 1.00 TYMS (0.41) TYMSFOLR1SLC19A1SLC46A1
SCHEMBL19929275 1.00 TYMS (0.41) TYMSFOLR1SLC19A1SLC46A1
SCHEMBL93906 1.00 TYMS (0.41) TYMSFOLR1SLC19A1SLC46A1
SCHEMBL23005880 1.00 TYMS (0.41) TYMSFOLR1SLC19A1SLC46A1
SCHEMBL15972267 0.84 PNP (0.32) —
Hydrochloric Acid SCHEMBL29354653 0.83 PNP (0.32) —
SCHEMBL21343010 0.82 TYMS (0.41) TYMSFOLR1SLC19A1SLC46A1
SCHEMBL23109473 0.82 TYMS (0.40) TYMS

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
WO-2021048430-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES AMABIOTICS (FR) 2021-03-18 — — WO disclosed
WO-2019170834-A1 COMPOUNDS FOR TREATING ALZHEIMER'S DISEASE AMABIOTICS (FR) 2019-09-12 — — WO disclosed
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