SCHEMBL5792879

SCHEMBL5792879

CC[Si](CC)(CC)OCCc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 15/20 0.47
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
NMBR P28336 1/20 0.33
ENPP2 Q13822 1/20 0.33
FLT3 P36888 1/20 0.31
TYRO3 Q06418 1/20 0.31
MERTK Q12866 1/20 0.31
GAS6 Q14393 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
SCHEMBL1037597 0.83 SIRT2 (0.45) SIRT2CYP11B1CYP11B2NMBRENPP2
SCHEMBL4382643 0.82 SIRT2 (0.54) SIRT2CYP11B1CYP11B2ENPP2
SCHEMBL10815629 0.81 SIRT2 (0.46) SIRT2CYP11B1CYP11B2NMBRENPP2
Hydrochloric Acid SCHEMBL7987252 0.80 SIRT2 (0.53) SIRT2CYP11B1CYP11B2ENPP2
SCHEMBL2796109 0.79 SIRT2 (0.52) SIRT2CYP11B1CYP11B2FLT3TYRO3
SCHEMBL3821641 0.79 SIRT2 (0.46) SIRT2CYP11B1CYP11B2NMBRENPP2
SCHEMBL7269738 0.78 SIRT2 (0.50) SIRT2CYP11B1CYP11B2NMBRENPP2
SCHEMBL3976810 0.78 SIRT2 (0.45) SIRT2CYP11B1CYP11B2NMBRENPP2
SCHEMBL7977246 0.77 SIRT2 (0.43) SIRT2
SCHEMBL1039638 0.76 SIRT2 (0.43) SIRT2CYP11B1CYP11B2NMBR

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-2006005726-A2 HETEROCYCLIC COMPOUNDS SPEEDEL EXPERIMENTA AG (CH) 2006-01-19 WO disclosed