SCHEMBL6258416

SCHEMBL6258416

C[Si]1(C)C(c2ccc(C#N)cc2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccc(C#N)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45
GABRA1 P14867 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
MAOB P27338 2/20 0.40
MAOA P21397 1/20 0.40
CYP11B2 P19099 1/20 0.40
KIF11 P52732 1/20 0.39
MMP3 P08254 1/20 0.38
ALDH1A3 P47895 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP2A6 P11509 1/20 0.38
CYP1A1 P04798 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP1B1 Q16678 1/20 0.37
AR P10275 1/20 0.37
ABCG2 Q9UNQ0 4/20 0.36
ABCB1 P08183 3/20 0.36

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
SCHEMBL6256345 0.85 TSHR (0.41) TSHRGABRA1GABRG2GABRB3GABRA5
SCHEMBL6252874 0.83 TSHR (0.39) TSHRGABRA1GABRG2GABRB3GABRA5
SCHEMBL6257635 0.83 CLK4 (0.45) TSHRGABRA1GABRG2GABRB3GABRA5
SCHEMBL10018832 0.82 ALDH1A1 (0.43) KIF11MMP3ALDH1A1CYP1A1CYP1A2
SCHEMBL81272 0.82 ALDH1A1 (0.40) MMP3ALDH1A1CYP1A2
SCHEMBL6258892 0.82 MAPK14 (0.43) TSHRCYP11B2KIF11ALDH1A1CYP2A6
SCHEMBL15187835 0.82 CYP1A1 (0.37) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL6255448 0.81 TSHR (0.41) TSHRGABRA1GABRG2GABRB3GABRA5
SCHEMBL6258899 0.81 TSHR (0.43) TSHRGABRA1GABRG2GABRB3GABRA5
SCHEMBL6255387 0.78 KIF11 (0.40) TSHRGABRA1GABRG2GABRB3GABRA5

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 6 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
EP-0754691-A2 Silacyclopentadiene derivatives and an organic electroluminescent element obtained by using the silacyclopentadiene derivative CHISSO CORPORATION (JP) 1997-01-22 EP disclosed