SCHEMBL6252096

SCHEMBL6252096

C[Si]1(C)C(c2ncccn2)=C(c2ccccc2)C(c2ccccc2)=C1c1ncccn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.36
MTOR P42345 1/20 0.35
ADK P55263 1/20 0.35
NISCH Q9Y2I1 1/20 0.35
CLK4 Q9HAZ1 3/20 0.35
DYRK1A Q13627 1/20 0.35
NPC1 O15118 4/20 0.34
RAB9A P51151 4/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 5/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
NOTUM Q6P988 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TP53 P04637 1/20 0.33
PKM P14618 1/20 0.33
CTNNB1 P35222 1/20 0.32
WNT3A P56704 1/20 0.32
PDE4B Q07343 1/20 0.31

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
SCHEMBL6255925 0.83 CTNNB1 (0.36) CYP2A6MTORADKNISCHCLK4
SCHEMBL6254886 0.82 SMN1; SMN2 (0.37) CYP2A6MTORADKNISCHCLK4
SCHEMBL7116753 0.81 KDM4E (0.46) CYP2A6NPC1RAB9AMAPK1SMN1; SMN2
SCHEMBL6252801 0.79 ALDH1A1 (0.33) CYP2A6MTORADKNISCHCLK4
SCHEMBL6254812 0.78 CYP2A6 (0.35) CYP2A6MTORADKNISCHCLK4
SCHEMBL81272 0.78 ALDH1A1 (0.40) NPC1RAB9AMAPK1NOTUML3MBTL1
SCHEMBL6256695 0.76 NOTUM (0.54) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL6253656 0.75 CYP2A6 (0.31) CYP2A6MTORADKNISCHCLK4
SCHEMBL6252273 0.75 KDM4E (0.41) CYP2A6NPC1RAB9AMAPK1SMN1; SMN2
SCHEMBL17449595 0.74 HTR1A (0.43) CYP2A6NPC1RAB9AMAPK1SMN1; SMN2

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