SCHEMBL24574540

SCHEMBL24574540

CNC(=O)OCC(COC(N)=O)c1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 3/20 0.76
▸ SMN1; SMN2 Q16637 2/20 0.76
▸ CYP2D6 P10635 1/20 0.76
▸ PKM P14618 1/20 0.76
▸ NPSR1 Q6W5P4 1/20 0.76
▸ ALDH1A1 P00352 1/20 0.48
▸ F9 P00740 1/20 0.44
▸ F10 P00742 1/20 0.44
▸ PLAU P00749 1/20 0.44
▸ ATM Q13315 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ GABBR2 O75899 1/20 0.39
▸ GABBR1 Q9UBS5 1/20 0.39
▸ SLC6A3 Q01959 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
Felbamate SCHEMBL2946508 0.87 CYP1A2 (1.00) CYP1A2SMN1; SMN2CYP2D6PKMNPSR1
Felbamate SCHEMBL34947 0.87 CYP1A2 (1.00) CYP1A2SMN1; SMN2CYP2D6PKMNPSR1
Felbamate SCHEMBL7153063 0.85 CYP1A2 (0.96) CYP1A2SMN1; SMN2CYP2D6PKMNPSR1
Felbamate SCHEMBL17597519 0.85 CYP1A2 (0.96) CYP1A2SMN1; SMN2CYP2D6PKMNPSR1
SCHEMBL7775519 0.85 CYP1A2 (0.71) CYP1A2SMN1; SMN2CYP2D6PKMNPSR1
SCHEMBL27446892 0.84 CYP1A2 (0.56) CYP1A2SMN1; SMN2CYP2D6PKMNPSR1
SCHEMBL23303256 0.84 CYP1A2 (0.51) CYP1A2SMN1; SMN2CYP2D6PKMNPSR1
SCHEMBL8392182 0.83 CYP1A2 (0.83) CYP1A2SMN1; SMN2CYP2D6PKMNPSR1
SCHEMBL8392180 0.83 CYP1A2 (0.83) CYP1A2SMN1; SMN2CYP2D6PKMNPSR1
SCHEMBL8056124 0.83 CYP1A2 (0.83) CYP1A2SMN1; SMN2CYP2D6PKMNPSR1

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-2022140705-A1 PRODRUGS OF PHARMACEUTICAL AGENTS ALMARSSON ORN (US) 2022-06-30 — — WO disclosed
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