SCHEMBL22925022

SCHEMBL22925022

COC(=O)N/N=C/c1ccc(C(C)(C)C)cc1

nearest known ligand 0.77

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.77
MIF P14174 2/20 0.69
ESRRG P62508 6/20 0.64
RAB9A P51151 5/20 0.60
NPC1 O15118 4/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
GCGR P47871 1/20 0.57
RECQL P46063 1/20 0.56
GAA P10253 2/20 0.56
MAPT P10636 3/20 0.55
HTT P42858 1/20 0.55
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
MEN1 O00255 1/20 0.54
MITF O75030 1/20 0.54
HPGD P15428 1/20 0.54
KMT2A Q03164 1/20 0.54
ALDH1A1 P00352 1/20 0.53

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
SCHEMBL17290220 0.88 MIF (0.76) LMNAMIFESRRGRAB9ANPC1
SCHEMBL13903557 0.88 MIF (0.76) LMNAMIFESRRGRAB9ANPC1
SCHEMBL4274744 0.83 ESRRG (0.72) LMNAESRRGRAB9ANPC1SMN1; SMN2
SCHEMBL4274738 0.83 ESRRG (0.72) LMNAESRRGRAB9ANPC1SMN1; SMN2
SCHEMBL15672276 0.80 LMNA (0.82) LMNAMIFRAB9ANPC1SMN1; SMN2
SCHEMBL16182575 0.79 LMNA (0.80) LMNAMIFRAB9ANPC1SMN1; SMN2
SCHEMBL28471694 0.78 ESRRG (1.00) LMNAESRRGRAB9ANPC1SMN1; SMN2
SCHEMBL24278445 0.78 ESRRG (0.60) LMNAESRRGRAB9ANPC1SMN1; SMN2
SCHEMBL16224308 0.78 ESRRG (0.60) LMNAESRRGRAB9ANPC1SMN1; SMN2
SCHEMBL6163128 0.78 SCN4A (0.68) ESRRGRAB9ANPC1SMN1; SMN2GCGR

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-2021012264-A1 TRIAZOLE SULFONAMIDE DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 东莞市东阳光农药研发有限公司 2021-01-28 WO disclosed