SCHEMBL17066409

SCHEMBL17066409

Cc1ccc(-c2cc(-c3ccc(C#N)cc3)cc(N(c3ccc([Si](C)(C)C)cc3)c3ccc4ccc5c(N(c6ccc([Si](C)(C)C)cc6)c6cc(-c7ccc(C#N)cc7)cc(-c7ccc(C#N)cc7)c6)ccc6ccc3c4c65)c2)cc1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP2A6 P11509 1/20 0.33
GRM2 Q14416 1/20 0.33
MAPKAPK2 P49137 1/20 0.33
PGR P06401 2/20 0.32
ITK Q08881 1/20 0.31
KDM1A O60341 1/20 0.31
TP53 P04637 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) HRH3PGR
SCHEMBL12575898 0.93
SCHEMBL12640472 0.92 ALDH1A1 (0.39) HRH3ALDH1A1CYP2A6GRM2MAPKAPK2
SCHEMBL12640473 0.92 ALDH1A1 (0.39) HRH3ALDH1A1CYP2A6GRM2MAPKAPK2
SCHEMBL17066411 0.92 MYC (0.37) HRH3PGRKDM1A
SCHEMBL12575791 0.91
SCHEMBL12640465 0.88 ABCG2 (0.36) HRH3ALDH1A1CYP2A6GRM2MAPKAPK2
SCHEMBL12640480 0.88 ABCG2 (0.36) HRH3ALDH1A1CYP2A6GRM2MAPKAPK2
SCHEMBL12576748 0.88 HRH3 (0.31) HRH3
SCHEMBL12575625 0.87 MEN1 (0.35) ALDH1A1

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