SCHEMBL18574480

SCHEMBL18574480

C=C(/C=C\C(=C/C)N(c1ccc(-c2cccc3ccccc23)cc1)c1cccc(-c2cccc3c2oc2c(-c4ccccc4)cccc23)c1)c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRNA1 P02708 1/20 0.32
▸ CHRNG P07510 1/20 0.32
▸ CHRNB1 P11230 1/20 0.32
▸ CHRNB2 P17787 1/20 0.32
▸ SLC6A2 P23975 1/20 0.32
▸ CHRNB4 P30926 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ CHRNA3 P32297 1/20 0.32
▸ CHRNA4 P43681 1/20 0.32
▸ SLC6A3 Q01959 1/20 0.32
▸ CHRND Q07001 1/20 0.32
▸ CYP2C9 P11712 2/20 0.32
▸ CYP2C19 P33261 2/20 0.32
▸ CYP1A2 P05177 2/20 0.32
▸ MCL1 Q07820 1/20 0.32
▸ ACMSD Q8TDX5 1/20 0.32
▸ ALOX5 P09917 1/20 0.32
▸ HDAC8 Q9BY41 1/20 0.31
▸ HDAC6 Q9UBN7 1/20 0.31
▸ PPARG P37231 5/20 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
SCHEMBL23224527 0.84 ALOX5 (0.37) ALOX5PPARGPPARA
SCHEMBL24817260 0.84 MCL1 (0.33) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL22036430 0.84 SLC6A9 (0.33) CYP2C9CYP2C19CYP1A2MCL1ACMSD
SCHEMBL25912759 0.76 CA12 (0.41) CYP2C9CYP2C19CYP1A2MCL1ACMSD
SCHEMBL17703110 0.74 MCL1 (0.43) CHRNB4CHRNA3CYP2C9CYP2C19CYP1A2
SCHEMBL17703114 0.74 MCL1 (0.43) CHRNB4CHRNA3CYP2C9CYP2C19CYP1A2
SCHEMBL25056876 0.74 GPR84 (0.33) —
SCHEMBL17550825 0.74 ALOX5 (0.42) ALOX5HDAC8
SCHEMBL17703126 0.73 MCL1 (0.42) CHRNB4CHRNA3CYP2C9CYP2C19CYP1A2
SCHEMBL17703111 0.72 ENPP3 (0.40) CHRNB4CHRNA3CYP2C9CYP2C19CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10211405-B2 Organic light-emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2019-02-19 — — US disclosed
US-20170062727-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2017-03-02 — — US disclosed
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