SCHEMBL6255448

SCHEMBL6255448

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
CYP2A6 P11509 1/20 0.39
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
AR P10275 1/20 0.38
HSD17B10 Q99714 1/20 0.37
MAOB P27338 4/20 0.37
MAOA P21397 3/20 0.37
CYP11B2 P19099 3/20 0.37
KIF11 P52732 1/20 0.36
CYP19A1 P11511 2/20 0.36
ALDH1A3 P47895 1/20 0.35
ABCB1 P08183 1/20 0.35
ABCC1 P33527 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
MMP3 P08254 1/20 0.35
CYP11B1 P15538 1/20 0.35

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
SCHEMBL6252874 0.86 TSHR (0.39) TSHRCYP2A6GABRA1GABRG2GABRB3
SCHEMBL6252571 0.84 ADORA2A (0.44) TSHRGABRA1GABRG2GABRB3GABRA5
SCHEMBL10018833 0.84 SMN1; SMN2 (0.38) HSD17B10MMP3
SCHEMBL6253373 0.84 ALDH1A1 (0.35)
SCHEMBL6258416 0.81 TSHR (0.45) TSHRCYP2A6GABRA1GABRG2GABRB3
SCHEMBL6256345 0.81 TSHR (0.41) TSHRCYP2A6GABRA1GABRG2GABRB3
SCHEMBL6256991 0.80 RAB9A (0.39) TSHRHSD17B10MAOB
SCHEMBL6256567 0.78 PTGS1 (0.40) TSHRHSD17B10
SCHEMBL6258899 0.77 TSHR (0.43) TSHRGABRA1GABRG2GABRB3GABRA5
SCHEMBL7125486 0.76 ESR2 (0.40) TSHRGABRG2GABRB3GABRA5GABRA3

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