SCHEMBL30898285

SCHEMBL30898285

CC(C)(C)OC(=O)NCCCc1cccc(COS(C)(=O)=O)c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.47
CA1 P00915 8/20 0.46
CA2 P00918 8/20 0.46
SIGMAR1 Q99720 2/20 0.44
CA12 O43570 4/20 0.44
CA9 Q16790 4/20 0.44
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
MAPT P10636 1/20 0.42
ATM Q13315 1/20 0.42
CYP3A4 P08684 1/20 0.42
IDO1 P14902 1/20 0.41

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
SCHEMBL30898273 0.93 NQO2 (0.52) NQO2CA1CA2CA12CA9
SCHEMBL16785102 0.85 GLS (0.49) NQO2CA1CA2CA12
SCHEMBL30898264 0.85 GLS (0.49) NQO2CA1CA2CA12
SCHEMBL7283887 0.83 NQO2 (0.56) NQO2CA1CA2SIGMAR1MTNR1A
SCHEMBL30898246 0.81 NQO2 (0.49) NQO2CA1CA2SIGMAR1CA12
SCHEMBL610784 0.81 TDP1 (0.62) NQO2CA1CA2SIGMAR1MTNR1A
SCHEMBL1569930 0.80 CA2 (0.56) NQO2CA1CA2CA12CA9
SCHEMBL16155837 0.80 MAPT (0.59) NQO2SIGMAR1MTNR1AMTNR1BMAPT
SCHEMBL611246 0.80 MTNR1A (0.48) NQO2CA1CA2SIGMAR1CA12
SCHEMBL611591 0.80 SIGMAR1 (0.49) NQO2CA1CA2SIGMAR1MTNR1A

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-2024105159-A1 LIGANDS OF THE M6A-RNA READERS UNIVERSITY OF ZURICH (CH) 2024-05-23 WO disclosed