SCHEMBL28673175

SCHEMBL28673175

O=C(COc1ccc(Cl)c(Cl)c1)NCS(=O)(=O)O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 6/20 0.57
GRIN2B Q13224 6/20 0.57
ALDH1A1 P00352 3/20 0.51
TAOK1 Q7L7X3 1/20 0.48
TAOK3 Q9H2K8 1/20 0.48
GBA1 P04062 1/20 0.47
ADAMTS5 Q9UNA0 1/20 0.47
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
HTT P42858 2/20 0.44
ADORA2B P29275 1/20 0.44
ADORA1 P30542 1/20 0.44
MEN1 O00255 1/20 0.44
PPARG P37231 1/20 0.44
KMT2A Q03164 1/20 0.44
NCOA2 Q15596 1/20 0.44
NCOA1 Q15788 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
NR2E3 Q9Y5X4 1/20 0.44

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
SCHEMBL28654035 0.79 ALDH1A1 (0.77) GRIN1GRIN2BALDH1A1TAOK1TAOK3
SCHEMBL28655102 0.79 GRIN1 (0.65) GRIN1GRIN2BALDH1A1GBA1KDM4E
SCHEMBL22669039 0.78 TAOK1 (0.62) GRIN1GRIN2BALDH1A1TAOK1TAOK3
SCHEMBL28655075 0.78 ALDH1A1 (0.59) GRIN1GRIN2BALDH1A1TAOK1TAOK3
SCHEMBL28668119 0.78 ALDH1A1 (0.59) GRIN1GRIN2BALDH1A1TAOK1TAOK3
SCHEMBL25811671 0.78 ALDH1A1 (0.63) GRIN1GRIN2BALDH1A1TAOK1TAOK3
SCHEMBL28650418 0.78 GBA1 (0.56) GRIN1GRIN2BALDH1A1TAOK1TAOK3
SCHEMBL19555741 0.78 ALDH1A1 (0.59) GRIN1GRIN2BALDH1A1GBA1KDM4E
SCHEMBL28649848 0.77 OGG1 (0.58) GRIN1GRIN2BALDH1A1ADAMTS5KDM4E
SCHEMBL28668110 0.76 ALDH1A1 (0.60) GRIN1GRIN2BALDH1A1GBA1KDM4E

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-113692276-A NURR1 receptor modulators 加利福尼亚大学董事会 2021-11-23 CN disclosed