SCHEMBL16788654

SCHEMBL16788654

c1ccc2cc(-n3c4cc(-c5cc6ccc7cccc8ccc(c5)c6c78)cc5ccc6cc(-c7cc8ccc9cccc%10ccc(c7)c8c9%10)cc3c6c54)ccc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK10 P53779 9/20 0.42
▸ MAPK9 P45984 7/20 0.42
▸ MAPK8 P45983 1/20 0.40
▸ HSP90AA1 P07900 1/20 0.39
▸ CYP1A2 P05177 2/20 0.37
▸ ERBB2 P04626 1/20 0.37
▸ FYN P06241 1/20 0.37
▸ MAOA P21397 1/20 0.37
▸ ACHE P22303 1/20 0.37
▸ AHR P35869 1/20 0.37
▸ CYP1A1 P04798 2/20 0.37
▸ CYP1B1 Q16678 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ HTR3A P46098 2/20 0.37
▸ HTR3E A5X5Y0 1/20 0.37
▸ HTR3B O95264 1/20 0.37

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
SCHEMBL16369512 0.95 MAPK10 (0.41) MAPK10MAPK9MAPK8HSP90AA1ALDH1A1
SCHEMBL18744352 0.92 MAPK10 (0.43) MAPK10MAPK9MAPK8HSP90AA1ALDH1A1
SCHEMBL16788667 0.91 ALDH1A1 (0.44) MAPK10MAPK9CYP1A2ERBB2FYN
SCHEMBL18744402 0.90 MAPK10 (0.42) MAPK10MAPK9MAPK8HSP90AA1CYP1A1
SCHEMBL16788709 0.88 CYP1A2 (0.41) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL16021429 0.87 HSD17B1 (0.40) MAPK10MAPK9MAPK8HSD17B1HSD17B2
SCHEMBL16788680 0.87 CYP1A2 (0.41) MAPK10MAPK9MAPK8HSP90AA1CYP1A2
SCHEMBL16788652 0.86 KDM4E (0.39) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL16788655 0.85 PDE6D (0.40) HSP90AA1CYP1A2ERBB2FYNMAOA
SCHEMBL16788670 0.85 PDE6D (0.40) HSP90AA1CYP1A2ERBB2FYNMAOA

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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