SCHEMBL31163893

SCHEMBL31163893

O[C@H]1[C@H](O)[C@@H](O)CN(CC/C=C/CCOCc2csc(-c3ccc(F)cc3)n2)C[C@@H]1O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 5/20 0.41
▸ GBA1 P04062 5/20 0.41
▸ UGCG Q16739 5/20 0.41
▸ GBA2 Q9HCG7 5/20 0.41
▸ ALDH1A1 P00352 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ MAPT P10636 3/20 0.35
▸ TP53 P04637 3/20 0.35
▸ NAMPT P43490 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ NTMT1 Q9BV86 1/20 0.34
▸ GAA P10253 1/20 0.33

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
SCHEMBL31163849 0.90 SMN1; SMN2 (0.34) LMNAGBA1UGCGGBA2ALDH1A1
SCHEMBL31163900 0.90 KDM4E (0.35) LMNAGBA1UGCGGBA2MAPT
SCHEMBL31163825 0.86 UGCG (0.53) LMNAGBA1UGCGGBA2
SCHEMBL31163903 0.86 UGCG (0.53) LMNAGBA1UGCGGBA2
SCHEMBL31163840 0.85 GBA1 (0.31) GBA1UGCGGBA2
SCHEMBL31163844 0.82 UGCG (0.43) LMNAGBA1UGCGGBA2ALDH1A1
SCHEMBL31163682 0.79 GBA1 (0.39) LMNAGBA1UGCGGBA2ALDH1A1
SCHEMBL31163694 0.79 GBA1 (0.39) LMNAGBA1UGCGGBA2ALDH1A1
SCHEMBL31163683 0.76 GBA2 (0.43) GBA1UGCGGBA2
SCHEMBL31163931 0.76 UGCG (0.53) LMNAGBA1UGCGGBA2ALDH1A1

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
WO-2024179491-A1 GBA1 AND GCS DUAL MODULATOR ONO PHARMACEUTICAL CO., LTD. (JP) 2024-09-06 — — WO disclosed
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