SCHEMBL5488485

SCHEMBL5488485

CC(C[Si](Cl)(Cl)Cl)c1ccccc1F

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.41
TSHR P16473 1/20 0.34
MAPKAPK2 P49137 1/20 0.34
IDO1 P14902 2/20 0.33
TDO2 P48775 2/20 0.33
MEN1 O00255 2/20 0.33
CYP2C9 P11712 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
EEF2K O00418 1/20 0.33
CNR2 P34972 2/20 0.33
ACHE P22303 1/20 0.32

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
SCHEMBL9079768 0.80 CYP3A4 (0.33) CYP3A4MAPKAPK2
SCHEMBL5486163 0.78 ADRB2 (0.43) CYP3A4TSHRIDO1TDO2CYP2C9
SCHEMBL7614292 0.78 ESR1 (0.42) CYP3A4TSHRCYP2C9SLC6A2SLC6A4
SCHEMBL5494557 0.77 HTT (0.42) CYP3A4TSHRIDO1TDO2CYP2C9
SCHEMBL11839515 0.76 TSHR (0.33) TSHRKMT2AALDH1A1SLC6A2SLC6A4
SCHEMBL5488086 0.76 TSHR (0.37) CYP3A4TSHRALDH1A1MAPTSLC6A2
SCHEMBL18488721 0.75 CYP3A4 (0.41) CYP3A4TSHRIDO1TDO2MEN1
SCHEMBL20807370 0.75 TSHR (0.59) CYP3A4TSHRIDO1TDO2MEN1
SCHEMBL21138699 0.75 TSHR (0.59) CYP3A4TSHRIDO1TDO2MEN1
SCHEMBL778759 0.75 TSHR (0.59) CYP3A4TSHRIDO1TDO2MEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7291747-B2 Silicon compounds and process for preparation thereof CHISSO CORPORATION (JP) 2007-11-06 US disclosed
US-20040143081-A1 Novel silicon compounds and process for preparation thereof JNC CORPORATION (JP) 2004-07-22 US disclosed