SCHEMBL16788682

SCHEMBL16788682

c1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccc(-c5cc6ccc7cccc8ccc(c5)c6c78)c5ccc6c(-c7cc8ccc9cccc%10ccc(c7)c8c9%10)ccc3c6c54)c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ERBB2 P04626 1/20 0.37
▸ CYP1A2 P05177 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
▸ HTR6 P50406 2/20 0.33
▸ PDE6D O43924 1/20 0.33
▸ CYP19A1 P11511 1/20 0.32
▸ HSD17B1 P14061 1/20 0.31
▸ HSD17B2 P37059 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 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
SCHEMBL16788703 0.92 PDE6D (0.38) ERBB2CYP1A2FYNMAOAACHE
SCHEMBL16788676 0.91 CYP1A2 (0.40) ERBB2CYP1A2FYNMAOAACHE
SCHEMBL16788695 0.91 ERBB2 (0.36) ERBB2CYP1A2FYNMAOAACHE
SCHEMBL16369533 0.90 CYP1A2 (0.35) ERBB2CYP1A2FYNMAOAACHE
SCHEMBL16788701 0.90 CYP1A2 (0.40) ERBB2CYP1A2FYNMAOAACHE
SCHEMBL16788715 0.89 ERBB2 (0.37) ERBB2CYP1A2FYNMAOAACHE
SCHEMBL16788694 0.89 CYP1A2 (0.40) ERBB2CYP1A2FYNMAOAACHE
SCHEMBL18996173 0.88 CYP1A2 (0.38) ERBB2CYP1A2FYNMAOAACHE
SCHEMBL18744398 0.85 CYP1A2 (0.40) ERBB2CYP1A2FYNMAOAACHE
SCHEMBL16788708 0.85 CYP1A2 (0.38) ERBB2CYP1A2FYNMAOAACHE

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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