SCHEMBL26219417

SCHEMBL26219417

O=NC[C@H]1C(N=O)C(=O)[C@@H](O)CN1CCCCCOCc1ccc(C2=CC=CCC=C2)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GBA1 P04062 20/20 0.45
▸ UGCG Q16739 20/20 0.45
▸ GBA2 Q9HCG7 20/20 0.45
▸ LCT P09848 9/20 0.45
▸ SI P14410 6/20 0.45
▸ MGAM O43451 5/20 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
SCHEMBL26219600 0.95 UGCG (0.49) GBA1UGCGGBA2LCTSI
SCHEMBL26219247 0.84 UGCG (0.64) GBA1UGCGGBA2LCTSI
SCHEMBL26219281 0.80 UGCG (0.68) GBA1UGCGGBA2LCTSI
SCHEMBL26219527 0.80 UGCG (0.68) GBA1UGCGGBA2LCTSI
SCHEMBL25962343 0.79 GBA1 (0.51) GBA1UGCGGBA2LCTSI
SCHEMBL26219481 0.76 UGCG (0.66) GBA1UGCGGBA2LCTSI
SCHEMBL25962193 0.71 UGCG (0.73) GBA1UGCGGBA2LCTSI
SCHEMBL26022347 0.70 UGCG (0.71) GBA1UGCGGBA2LCTSI
SCHEMBL26219187 0.70 UGCG (0.65) GBA1UGCGGBA2LCTSI
SCHEMBL25962213 0.69 UGCG (0.67) GBA1UGCGGBA2LCTSI

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-4209215-A1 TREATMENT OF GM2 GANGLIOSIDOSIS Azafaros B.V. (NL) 2023-07-12 — — EP disclosed
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