SCHEMBL18839734

SCHEMBL18839734

CC(C)(C)[Si](C)(C)OCc1cnn(CCON2C(=O)c3ccccc3C2=O)n1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.41
ALDH1A1 P00352 4/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPT P10636 1/20 0.37
RECQL P46063 1/20 0.37
HTT P42858 1/20 0.35
CYP1A2 P05177 2/20 0.34
ATM Q13315 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
DUT P33316 2/20 0.33
CYP2C9 P11712 1/20 0.32
GLS O94925 1/20 0.31

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
SCHEMBL9544542 0.78 GAA (0.58) GAAALDH1A1MEN1KMT2AMAPT
SCHEMBL18839649 0.78 HSP90AB1 (0.49) GAAALDH1A1MEN1KMT2AMAPT
SCHEMBL18839673 0.77 GAA (0.40) GAAALDH1A1MEN1KMT2AMAPT
SCHEMBL18839713 0.77 DUT (0.32) DUT
SCHEMBL18839622 0.76 GAA (0.39) GAAALDH1A1MEN1KMT2AMAPT
SCHEMBL4851745 0.76 RECQL (0.55) GAAALDH1A1MEN1KMT2AMAPT
SCHEMBL12767494 0.76 GAA (0.51) GAAALDH1A1MEN1KMT2AMAPT
SCHEMBL31712151 0.74 GAA (0.67) GAAALDH1A1MEN1KMT2AMAPT
SCHEMBL14057890 0.72 GAA (0.48) GAAALDH1A1MEN1KMT2AMAPT
SCHEMBL20518646 0.72 GAA (0.40) GAAALDH1A1MEN1KMT2AMAPT

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-2017081615-A1 7-OXO -6-(SULFOOXY)- 1,6-DIAZABICYCLO [3.2.1] OCTANE CONTAINING COMPOUNDS AND THEIR USE IN TREATMENT OF BACTERIAL INFECTIONS WOCKHARDT LIMITED (IN) 2017-05-18 WO disclosed