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SCHEMBL17066410

SCHEMBL17066410

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

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 7/20 0.36
▸ PGR P06401 3/20 0.34
▸ CDK5 Q00535 1/20 0.31
▸ CDK5R1 Q15078 1/20 0.31
▸ APP P05067 1/20 0.31
▸ MYC P01106 1/20 0.31
▸ LRRK2 Q5S007 1/20 0.30
▸ ABCG2 Q9UNQ0 1/20 0.30
▸ DGAT1 O75907 1/20 0.30
▸ SOAT1 P35610 1/20 0.30
▸ KCNH2 Q12809 1/20 0.30
▸ HRH4 Q9H3N8 1/20 0.30

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
SCHEMBL17066409 0.96 HRH3 (0.33) HRH3PGR
SCHEMBL17066411 0.96 MYC (0.37) HRH3PGRMYCABCG2
SCHEMBL12576748 0.92 HRH3 (0.31) HRH3
SCHEMBL12640426 0.91 PGR (0.37) HRH3PGRCDK5CDK5R1
SCHEMBL13060292 0.91 ABCG2 (0.32) HRH3PGRABCG2
SCHEMBL13060302 0.91 ABCG2 (0.32) HRH3PGRABCG2
SCHEMBL12575739 0.89 MYC (0.33) MYCABCG2
SCHEMBL12575898 0.89 — —
SCHEMBL12640473 0.87 ALDH1A1 (0.39) HRH3PGR
SCHEMBL12640472 0.87 ALDH1A1 (0.39) HRH3PGR

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