SCHEMBL28676262

SCHEMBL28676262

O=C(COc1ccc(Cl)c(Cl)c1)NCc1ccc(O)c(O)c1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 7/20 0.68
ERCC4 Q92889 7/20 0.68
TAOK1 Q7L7X3 2/20 0.62
TAOK3 Q9H2K8 1/20 0.62
ADAMTS5 Q9UNA0 1/20 0.55
ADORA1 P30542 3/20 0.51
ADORA2B P29275 2/20 0.51
TSHR P16473 1/20 0.49
HTT P42858 1/20 0.48
GRIN1 Q05586 1/20 0.47
GRIN2B Q13224 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 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
SCHEMBL108628 0.89 ERCC1 (0.79) ERCC1ERCC4TAOK1TAOK3MEN1
SCHEMBL28676238 0.88 GRIN1 (0.53) ERCC1ERCC4TAOK1TAOK3ADAMTS5
SCHEMBL9265107 0.83 LMNA (0.66) TAOK1TAOK3ADAMTS5HTTALDH1A1
SCHEMBL28668952 0.83 KMT2A (0.68) ERCC1ERCC4TAOK1TAOK3ADAMTS5
SCHEMBL14644570 0.79 HPGD (0.68) ERCC1ERCC4ADAMTS5ALDH1A1MEN1
SCHEMBL28656126 0.78 TAOK1 (0.48) ERCC1ERCC4TAOK1TAOK3ADAMTS5
SCHEMBL14422166 0.77 TAOK1 (1.00) ERCC1ERCC4TAOK1TAOK3ADAMTS5
SCHEMBL140079 0.76 ERCC1 (0.59) ERCC1ERCC4HTTALDH1A1MEN1
SCHEMBL5276761 0.76 GRIN1 (0.59) TAOK1TAOK3ADORA1ADORA2BGRIN1
SCHEMBL28654035 0.75 ALDH1A1 (0.77) TAOK1TAOK3ADAMTS5HTTGRIN1

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