SCHEMBL28459274

SCHEMBL28459274

CCOC(=O)CN(C(=O)C1CCS(=O)(=O)CC1)c1c(C)cccc1C

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.36
▸ MAPT P10636 3/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ NLRP3 Q96P20 2/20 0.35
▸ THRB P10828 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ KLF5 Q13887 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ HTT P42858 2/20 0.34
▸ OPRM1 P35372 2/20 0.34
▸ RORC P51449 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ MCOLN3 Q8TDD5 1/20 0.34

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
SCHEMBL2815306 0.85 HTT (0.39) MAPTALDH1A1HTTOPRM1MEN1
SCHEMBL28460402 0.81 MAPT (0.40) GAAMAPTTDP1KDM4ETHRB
SCHEMBL21769890 0.80 HTT (0.36) MAPTTHRBALDH1A1KLF5HTT
SCHEMBL2815309 0.75 HTT (0.39) MAPTHTTOPRM1MEN1LMNA
SCHEMBL9205663 0.72 ALDH1A1 (0.57) MAPTTDP1KDM4ENLRP3ALDH1A1
SCHEMBL14000159 0.71 MAPT (0.37) GAAMAPTALDH1A1L3MBTL1HTT
SCHEMBL21769856 0.70 L3MBTL1 (0.38) MAPTTDP1ALDH1A1L3MBTL1MEN1
SCHEMBL14000191 0.70 SLC6A9 (0.43) —
SCHEMBL14000151 0.70 TSHR (0.42) MAPTTDP1KDM4ENLRP3ALDH1A1
SCHEMBL29031636 0.70 CNR2 (0.49) MAPTKDM4EALDH1A1TP53HTT

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
CN-108623577-B Preparation method of amonebvir and intermediate thereof 山东百诺医药股份有限公司 2020-09-25 — — CN disclosed
Send feedback