SCHEMBL28656126

SCHEMBL28656126

O=C(COc1ccc(Cl)c(Cl)c1)NCc1cccc(O)c1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAOK1 Q7L7X3 2/20 0.48
TAOK3 Q9H2K8 1/20 0.48
ADAMTS5 Q9UNA0 1/20 0.47
GRIN1 Q05586 1/20 0.46
GRIN2B Q13224 1/20 0.46
ALDH1A1 P00352 1/20 0.45
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
HTT P42858 2/20 0.44
NPC1 O15118 2/20 0.44
ERCC1 P07992 1/20 0.43
ERCC4 Q92889 1/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PPARG P37231 1/20 0.42
NCOA2 Q15596 1/20 0.42
NCOA1 Q15788 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
NR2E3 Q9Y5X4 1/20 0.42
NCOR2 Q9Y618 1/20 0.42

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
SCHEMBL28668952 0.78 KMT2A (0.68) TAOK1TAOK3ADAMTS5ALDH1A1MEN1
SCHEMBL28676262 0.78 ERCC1 (0.68) TAOK1TAOK3ADAMTS5GRIN1GRIN2B
SCHEMBL9265107 0.73 LMNA (0.66) TAOK1TAOK3ADAMTS5ALDH1A1MEN1
SCHEMBL28654035 0.73 ALDH1A1 (0.77) TAOK1TAOK3ADAMTS5GRIN1GRIN2B
SCHEMBL28668119 0.72 ALDH1A1 (0.59) TAOK1TAOK3ADAMTS5GRIN1GRIN2B
SCHEMBL28655075 0.72 ALDH1A1 (0.59) TAOK1TAOK3ADAMTS5GRIN1GRIN2B
SCHEMBL25811671 0.72 ALDH1A1 (0.63) TAOK1TAOK3GRIN1GRIN2BALDH1A1
SCHEMBL22669039 0.72 TAOK1 (0.62) TAOK1TAOK3ADAMTS5GRIN1GRIN2B
SCHEMBL28649848 0.71 OGG1 (0.58) ADAMTS5GRIN1GRIN2BALDH1A1
SCHEMBL28673175 0.71 GRIN1 (0.57) TAOK1TAOK3ADAMTS5GRIN1GRIN2B

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