SCHEMBL9563529

SCHEMBL9563529

C=C[Si](C)(C[Mg]Cl)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 5/20 0.38
NR1H3 Q13133 5/20 0.38
TAAR1 Q96RJ0 1/20 0.33
TGM2 P21980 1/20 0.32
KIF11 P52732 1/20 0.32
LMNA P02545 1/20 0.31
THRB P10828 1/20 0.31
FLT3 P36888 1/20 0.30
PRKCD Q05655 1/20 0.30
CAMK2B Q13554 1/20 0.30
CAMK2G Q13555 1/20 0.30
CAMK2D Q13557 1/20 0.30
AHR P35869 1/20 0.30
MAOB P27338 1/20 0.30
HIF1A Q16665 1/20 0.30
EPAS1 Q99814 1/20 0.30

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
SCHEMBL9563524 0.81 NR1H2 (0.41) NR1H2NR1H3TAAR1TGM2KIF11
SCHEMBL9563568 0.75 NR1H2 (0.36) NR1H2NR1H3TGM2KIF11LMNA
SCHEMBL9563519 0.74 NR1H2 (0.36) NR1H2NR1H3LMNA
SCHEMBL9563595 0.74 NR1H2 (0.36) NR1H2NR1H3LMNA
SCHEMBL9563591 0.74 NR1H2 (0.36) NR1H2NR1H3LMNA
SCHEMBL29214098 0.71 NR1H2 (0.47) NR1H2NR1H3TGM2KIF11
SCHEMBL29214136 0.71 NR1H2 (0.47) NR1H2NR1H3TGM2KIF11AHR
SCHEMBL30301265 0.67 TGM2 (0.46) NR1H2NR1H3TAAR1TGM2KIF11
SCHEMBL9563549 0.66 HTR2A (0.36) TAAR1
SCHEMBL7523329 0.64 NR1H2 (0.42) NR1H2NR1H3TAAR1KIF11LMNA

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
EP-0524829-A1 Novel silane compound, process of preparing the same and plant growth regulator containing the same SHIN-ETSU CHEMICAL CO., LTD. (JP) 1993-01-27 EP disclosed