SCHEMBL31192592

SCHEMBL31192592

Cn1c(=O)[nH]c2cc(F)ccc21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 4/20 0.64
LMNA P02545 1/20 0.56
FEN1 P39748 2/20 0.47
GABRP O00591 3/20 0.47
GABRD O14764 3/20 0.47
GABRA1 P14867 3/20 0.47
GABRB1 P18505 3/20 0.47
GABRG2 P18507 3/20 0.47
GABRB3 P28472 3/20 0.47
GABRA5 P31644 3/20 0.47
GABRA3 P34903 3/20 0.47
GABRA2 P47869 3/20 0.47
GABRB2 P47870 3/20 0.47
GABRA4 P48169 3/20 0.47
GABRE P78334 3/20 0.47
GABRA6 Q16445 3/20 0.47
GABRG1 Q8N1C3 3/20 0.47
GABRG3 Q99928 3/20 0.47
GABRQ Q9UN88 3/20 0.47
MAPT P10636 3/20 0.46

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
SCHEMBL194166 1.00 DAO (0.64) DAOLMNAFEN1GABRPGABRD
SCHEMBL6770061 0.85 DAO (0.64) DAOLMNAFEN1GABRPGABRD
SCHEMBL29464110 0.85 DAO (0.64) DAOLMNAFEN1GABRPGABRD
SCHEMBL5550237 0.82 GRIA1 (0.56) DAOFEN1GABRPGABRDGABRA1
SCHEMBL3263393 0.79 DAO (0.66) DAOLMNAMAPTMAOBTP53
SCHEMBL16997527 0.79 DAO (0.60) DAOLMNAFEN1GABRPGABRD
SCHEMBL709045 0.79 FEN1 (0.66) DAOLMNAFEN1KDM4E
SCHEMBL4084811 0.78 DAO (0.55) DAOLMNAMAOBPGR
SCHEMBL25079381 0.78 PSMB8 (0.56) DAOMAPT
SCHEMBL1639030 0.78 LMNA (0.56) DAOLMNAMAPTKDM4EMAOB

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-113924296-B 1,3, 4-Oxadiazole derivative compounds as histone deacetylase 6 inhibitors and pharmaceutical compositions containing the same 株式会社 钟根堂 2024-09-17 CN disclosed