SCHEMBL6256004

SCHEMBL6256004

C[Si]1(CC[Si]2(C)C(c3ccccc3C#N)=C(c3ccccc3)C(c3ccccc3)=C2c2ccccc2C#N)C(c2ccccc2C#N)=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1C#N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.40
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
KDM4E B2RXH2 2/20 0.37
HPGD P15428 2/20 0.37
GALR3 O60755 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
TSHR P16473 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
CYP19A1 P11511 1/20 0.33
GRIA2 P42262 1/20 0.33
GRIA4 P48058 1/20 0.33
CTSA P10619 1/20 0.33

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
SCHEMBL6252559 0.89 ESR2 (0.39) ESR2GABRG2GABRB3GABRA5GABRA3
SCHEMBL6256086 0.85 ESR2 (0.43) ESR2GABRG2GABRB3GABRA5GABRA3
SCHEMBL7125486 0.81 ESR2 (0.40) ESR2GABRG2GABRB3GABRA5GABRA3
SCHEMBL6253742 0.78 ESR2 (0.42) ESR2GABRG2GABRB3GABRA5GABRA3
SCHEMBL6256989 0.77 ALDH1A1 (0.39) KDM4EHPGDALDH1A1GAATSHR
SCHEMBL6256345 0.76 TSHR (0.41) GABRG2GABRB3GABRA5GABRA3ALDH1A1
SCHEMBL6257757 0.76 L3MBTL1 (0.36) ALDH1A1NPSR1L3MBTL1GRIA4
SCHEMBL1054804 0.75 ALDH1A1 (0.35) ALDH1A1NPSR1
SCHEMBL6255408 0.75 ESR2 (0.37) ESR2GABRG2GABRB3GABRA5GABRA3
SCHEMBL6252852 0.74 CLK4 (0.41) GABRG2GABRB3GABRA5GABRA3ALDH1A1

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-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
EP-0754691-A2 Silacyclopentadiene derivatives and an organic electroluminescent element obtained by using the silacyclopentadiene derivative CHISSO CORPORATION (JP) 1997-01-22 EP disclosed