SCHEMBL8348261

SCHEMBL8348261

COC(=O)c1ccc(C(=N)/C=C\NCC(=O)OC(C)(C)C)s1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.42
HPGD P15428 2/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 1/20 0.37
PPARG P37231 1/20 0.37
NCOA2 Q15596 1/20 0.37
NCOA1 Q15788 1/20 0.37
NCOA3 Q9Y6Q9 1/20 0.37
STING1 Q86WV6 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
PTPRC P08575 2/20 0.31
MRGPRX4 Q96LA9 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL277556 0.78 NPSR1 (0.49) NPSR1HPGDTSHRMAPK1ATM
SCHEMBL31282050 0.74 NPSR1 (0.48) NPSR1HPGDTSHRMAPK1ATM
SCHEMBL12274267 0.70 CA2 (0.38) L3MBTL1HDAC3HDAC1HDAC6PTPRC
SCHEMBL28767269 0.69 NPSR1 (0.46) NPSR1HPGDTSHRMAPK1ATM
SCHEMBL70027 0.68 NPSR1 (0.67) NPSR1HPGDTSHRMAPK1ATM
SCHEMBL8549434 0.67 TSHR (0.44) NPSR1HPGDTSHRMAPK1ATM
SCHEMBL8255339 0.66 HPGD (0.48) NPSR1HPGDTSHRMAPK1ATM
SCHEMBL27589470 0.66 CTSK (0.37) L3MBTL1HDAC3HDAC1HDAC6PTPRC
SCHEMBL6492852 0.65 NPSR1 (0.47) NPSR1HPGDTSHRMAPK1ATM
SCHEMBL27512110 0.65 EGFR (0.43) PTPRCALDH1A1

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-2004013130-A1 SUBSTITUTED THIENYL-HYDROXAMIC ACIDS AS HISTONE DEACETYLASE INHIBITORS ARGENTA DISCOVERY LIMITED (GB) 2004-02-12 WO disclosed