SCHEMBL17066411

SCHEMBL17066411

C[Si](C)(C)c1ccc(N(c2cc(-c3ccccc3)cc(-c3ccc(C#N)cc3)c2)c2ccc3ccc4c(N(c5ccc([Si](C)(C)C)cc5)c5cc(-c6ccccc6)cc(-c6ccc(C#N)cc6)c5)ccc5ccc2c3c54)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.37
ABCG2 Q9UNQ0 6/20 0.36
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
HRH3 Q9Y5N1 4/20 0.33
KDM1A O60341 1/20 0.33
SCN9A Q15858 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
ABCB1 P08183 4/20 0.33
CSNK1A1 P48729 1/20 0.32
CSNK1D P48730 1/20 0.32
GSK3B P49841 1/20 0.32
CSNK1G2 P78368 1/20 0.32
ALDH1A3 P47895 1/20 0.32
PGR P06401 1/20 0.32
PDPK1 O15530 1/20 0.31
MAPK13 O15264 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
SCHEMBL17066410 0.96 HRH3 (0.36) MYCABCG2HRH3PGR
SCHEMBL12575739 0.93 MYC (0.33) MYCABCG2
SCHEMBL17066409 0.92 HRH3 (0.33) HRH3KDM1APGR
SCHEMBL12640521 0.91 MYC (0.38) MYCABCG2GABRA1GABRG2GABRB3
SCHEMBL12575577 0.90 CYP19A1 (0.31)
SCHEMBL10040890 0.90 ABCG2 (0.38) MYCABCG2GABRA1GABRG2GABRB3
SCHEMBL12640469 0.89 MYC (0.38) MYCABCG2GABRA1GABRG2GABRB3
SCHEMBL13060319 0.89 ABCG2 (0.37) ABCG2KDM1APTGDR2ABCB1GSK3B
SCHEMBL13060258 0.89 ABCG2 (0.37) ABCG2KDM1APTGDR2ABCB1GSK3B
SCHEMBL13060321 0.89 ABCG2 (0.37) ABCG2KDM1APTGDR2ABCB1GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9126892-B2 Blue fluorescence compound and organic electroluminescence device using the same LG DISPLAY CO., LTD. (KR) 2015-09-08 US disclosed