SCHEMBL6257635

SCHEMBL6257635

C[Si]1(C)C(c2cccc(C#N)c2)=C(c2ccccc2)C(c2ccccc2)=C1c1cccc(C#N)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 3/20 0.45
GABRG2 P18507 3/20 0.44
GABRB3 P28472 3/20 0.44
GABRA5 P31644 3/20 0.44
GABRA3 P34903 3/20 0.44
GABRA1 P14867 1/20 0.44
ADORA2A P29274 4/20 0.43
ADORA1 P30542 4/20 0.43
ADORA2B P29275 3/20 0.43
ALDH1A3 P47895 1/20 0.43
TSHR P16473 3/20 0.42
CYP1A2 P05177 3/20 0.42
CYP3A4 P08684 3/20 0.42
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP2C19 P33261 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP2D6 P10635 2/20 0.42
MAPK1 P28482 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL6252852 0.86 CLK4 (0.41) CLK4GABRG2GABRB3GABRA5GABRA3
SCHEMBL6254931 0.86 CLK4 (0.41) CLK4GABRG2GABRB3GABRA5GABRA3
SCHEMBL6256038 0.84 ADORA2A (0.43) CLK4GABRG2GABRB3GABRA5GABRA3
SCHEMBL6258416 0.83 TSHR (0.45) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL6252571 0.83 ADORA2A (0.44) CLK4GABRG2GABRB3GABRA5GABRA3
SCHEMBL6257078 0.82 CLK4 (0.44) CLK4GABRG2GABRB3GABRA5GABRA3
SCHEMBL6257016 0.79 GABRG2 (0.39) CLK4GABRG2GABRB3GABRA5GABRA3
SCHEMBL14413708 0.78 MAOA (0.40) CYP1A2CYP3A4MEN1ALDH1A1CYP2C19
SCHEMBL29425207 0.76 GABRG2 (0.61) CLK4GABRG2GABRB3GABRA5GABRA3
SCHEMBL270874 0.76 GABRG2 (0.61) CLK4GABRG2GABRB3GABRA5GABRA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1143538-B1 Organic electroluminescent element containing a silacyclopentadiene derivative CHISSO CORP (JP) 2005-09-14 EP disclosed
EP-0754691-B1 Silacyclopentadiene derivatives and an organic electroluminescent element obtained by using the silacyclopentadiene derivative CHISSO CORP (JP) 2003-11-19 EP disclosed
EP-1143538-A1 Silacyclopentadiene derivatives and an organic electroluminescent element obtained by using the silacyclopentadiene derivative Chisso Corporation (JP) 2001-10-10 EP disclosed
US-6051319-A Silacyclopentadiene derivatives and an organic electroluminescent element obtained by using the silacyclopentadiene derivative CHISSO CORPORATION (JP) 2000-04-18 US disclosed
US-5986121-A Silacyclopentadiene derivatives and an organic electroluminescent element obtained by using the silacyclopentadiene derivative CHISSO CORPORATION (JP) 1999-11-16 US disclosed