SCHEMBL16788709

SCHEMBL16788709

c1cc2ccc3cc(-c4ccc(-c5cc6ccc7cc(-c8ccc(-c9cc%10ccc%11cccc%12ccc(c9)c%10c%11%12)cc8)cc8c7c6c(c5)n8-c5cc6ccc7cccc8ccc(c5)c6c78)cc4)cc4ccc(c1)c2c34

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 3/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ HPGD P15428 3/20 0.41
▸ HSD17B10 Q99714 3/20 0.41
▸ CYP1A1 P04798 2/20 0.41
▸ CYP1B1 Q16678 2/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ TSHR P16473 2/20 0.41
▸ ERBB2 P04626 1/20 0.36
▸ FYN P06241 1/20 0.36
▸ MAOA P21397 1/20 0.36
▸ ACHE P22303 1/20 0.36
▸ AHR P35869 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ TDP1 Q9NUW8 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ESR1 P03372 3/20 0.33
▸ ESR2 Q92731 3/20 0.33
▸ HSD17B1 P14061 2/20 0.33

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
SCHEMBL16788667 0.96 ALDH1A1 (0.44) CYP1A2ALDH1A1HPGDHSD17B10CYP1A1
SCHEMBL16788656 0.91 KDM4E (0.37) CYP1A2ALDH1A1HPGDHSD17B10CYP1A1
SCHEMBL16788666 0.91 KDM4E (0.37) CYP1A2ALDH1A1HPGDHSD17B10CYP1A1
SCHEMBL16788670 0.90 PDE6D (0.40) CYP1A2ALDH1A1HPGDHSD17B10CYP1A1
SCHEMBL16788655 0.90 PDE6D (0.40) CYP1A2ALDH1A1HPGDHSD17B10CYP1A1
SCHEMBL16788654 0.88 MAPK10 (0.42) CYP1A2ALDH1A1HPGDHSD17B10CYP1A1
SCHEMBL16788652 0.87 KDM4E (0.39) CYP1A2ALDH1A1HPGDHSD17B10CYP1A1
SCHEMBL16369508 0.85 PDE6D (0.39) ALDH1A1TSHRKMT2AKDM4EESR1
SCHEMBL16870786 0.85 PDE6D (0.39) ALDH1A1TSHRKMT2AKDM4EESR1
SCHEMBL16788659 0.84 MAPT (0.40) CYP1A2ALDH1A1HPGDHSD17B10CYP1A1

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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