SCHEMBL16809859

SCHEMBL16809859

CC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)nc(-c4ccc5c(c4)c4cc(C#N)ccc4n5-c4cccc5cccnc45)n3)cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FABP1 P07148 1/20 0.38
▸ HTR1A P08908 1/20 0.35
▸ PDK2 Q15119 2/20 0.33
▸ PDE4A P27815 1/20 0.33
▸ PDE4C Q08493 1/20 0.33
▸ PDE4D Q08499 1/20 0.33
▸ SLC40A1 Q9NP59 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ NPSR1 Q6W5P4 2/20 0.32
▸ CLK4 Q9HAZ1 1/20 0.31
▸ AVPR2 P30518 1/20 0.31
▸ AVPR1A P37288 1/20 0.31
▸ FNTA P49354 2/20 0.31
▸ FNTB P49356 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ HRH1 P35367 1/20 0.31
▸ HTR6 P50406 1/20 0.31
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 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
SCHEMBL16809858 0.89 PDK2 (0.35) PDK2KDM4EMAPTCLK4ALDH1A1
SCHEMBL16809578 0.85 FABP1 (0.40) FABP1HTR1APDE4APDE4CPDE4D
SCHEMBL16809513 0.85 ABCG2 (0.41) FABP1HTR1APDE4APDE4CPDE4D
SCHEMBL16809606 0.84 HTR1A (0.40) FABP1HTR1APDE4APDE4CPDE4D
SCHEMBL16809771 0.83 PDK2 (0.36) PDK2KDM4EMAPTCLK4ALDH1A1
SCHEMBL16809860 0.83 GRM5 (0.36) PDK2PDE4DMEN1KMT2ATGFBR1
SCHEMBL16809533 0.82 ABCG2 (0.41) FABP1HTR1APDE4APDE4CPDE4D
SCHEMBL16809857 0.82 CYP11B2 (0.37) PDK2CLK4AVPR1AALDH1A1MEN1
SCHEMBL16809795 0.81 ABCG2 (0.40) FABP1HTR1APDE4APDE4CPDE4D
SCHEMBL16549008 0.81 FABP1 (0.41) FABP1HTR1ASLC40A1KDM4EMAPT

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-9705088-B2 Triazine-based compounds and organic light-emitting devices including triazine-based compounds SAMSUNG DISPLAY CO., LTD. (KR) 2017-07-11 — — US disclosed
US-20150171336-A1 TRIAZINE-BASED COMPOUNDS AND ORGANIC LIGHT-EMITTING DEVICES INCLUDING TRIAZINE-BASED COMPOUNDS SAMSUNG DISPLAY CO., LTD. (KR) 2015-06-18 — — US disclosed
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