SCHEMBL16788702

SCHEMBL16788702

C[Si](C)(C)c1ccc(-n2c3ccc(-c4ccc5ccc6cccc7ccc4c5c67)c4ccc5c(-c6ccc7ccc8cccc9ccc6c7c89)ccc2c5c43)cc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.37
▸ HPGD P15428 4/20 0.37
▸ HSD17B10 Q99714 3/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ TSHR P16473 2/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ KDM4E B2RXH2 3/20 0.33
▸ MAPT P10636 1/20 0.33
▸ KMT2A Q03164 1/20 0.32
▸ CYP1A2 P05177 3/20 0.32
▸ ERBB2 P04626 1/20 0.32
▸ FYN P06241 1/20 0.32
▸ MAOA P21397 1/20 0.32
▸ ACHE P22303 1/20 0.32
▸ AHR P35869 1/20 0.32
▸ CYP1A1 P04798 1/20 0.31
▸ CYP1B1 Q16678 1/20 0.31
▸ THRB P10828 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
SCHEMBL16788690 0.90 ERBB2 (0.32) ALDH1A1HPGDHSD17B10CYP3A4TSHR
SCHEMBL16788699 0.86 ERBB2 (0.30) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL16788707 0.84 ALDH1A1 (0.43) ALDH1A1HPGDHSD17B10CYP3A4TSHR
SCHEMBL16788679 0.83 ERBB2 (0.34) ALDH1A1HPGDHSD17B10CYP3A4TSHR
SCHEMBL16788697 0.82 KDM4E (0.41) ALDH1A1HPGDHSD17B10CYP3A4TSHR
SCHEMBL16788706 0.81 HPGD (0.36) ALDH1A1HPGDHSD17B10CYP3A4TSHR
SCHEMBL16376589 0.81 ALOX5 (0.38) ALDH1A1HPGDHSD17B10L3MBTL1KMT2A
SCHEMBL16788705 0.81 ALDH1A1 (0.37) ALDH1A1HPGDHSD17B10CYP3A4TSHR
SCHEMBL16788711 0.80 PDE6D (0.40) ALDH1A1HPGDHSD17B10CYP3A4TSHR
SCHEMBL16283268 0.79 KDM4E (0.38) ALDH1A1L3MBTL1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9553271-B2 Compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2017-01-24 — — US disclosed
US-9553271-B2 Compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2017-01-24 — — US disclosed
US-20150162540-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2015-06-11 — — US disclosed
US-20150162540-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2015-06-11 — — US disclosed
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