SCHEMBL31163856

SCHEMBL31163856

O[C@H]1[C@H](O)[C@@H](O)CN(CCCCC(F)COCc2csc(-c3cc(F)cc(Cl)c3)n2)C[C@@H]1O

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ THRB P10828 1/20 0.31

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
SCHEMBL31163848 0.94 SMN1; SMN2 (0.33) SMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL31163791 0.93 SMN1; SMN2 (0.33) SMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL31163776 0.93 SMN1; SMN2 (0.33) SMN1; SMN2KDM4E
SCHEMBL31163795 0.89 MAPT (0.33) KDM4ETP53
SCHEMBL31163805 0.88 GBA1 (0.31) —
SCHEMBL31163694 0.87 GBA1 (0.39) TP53
SCHEMBL31163682 0.87 GBA1 (0.39) TP53
SCHEMBL31163866 0.86 KDM4E (0.34) SMN1; SMN2KDM4ETP53
SCHEMBL31163882 0.81 GBA1 (0.30) —
SCHEMBL31163920 0.81 GBA2 (0.43) —

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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