SCHEMBL6315513

SCHEMBL6315513

N#Cc1ccccc1/C=C/c1ccc2cc3ccccc3cc2c1/C=C/c1ccccc1C#N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 2/20 0.38
▸ CA2 P00918 2/20 0.38
▸ HTT P42858 2/20 0.36
▸ F2R P25116 2/20 0.34
▸ ALDH1A1 P00352 5/20 0.33
▸ KDM4E B2RXH2 4/20 0.33
▸ GAA P10253 1/20 0.33
▸ MAPT P10636 4/20 0.33
▸ POLB P06746 3/20 0.33
▸ CYP1A2 P05177 3/20 0.33
▸ CYP2C9 P11712 3/20 0.33
▸ NPSR1 Q6W5P4 3/20 0.33
▸ LMNA P02545 2/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ CYP2D6 P10635 2/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ CLK1 P49759 1/20 0.33
▸ DYRK1A Q13627 1/20 0.33
▸ HIF1A Q16665 1/20 0.32
▸ CYP1B1 Q16678 1/20 0.32

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
SCHEMBL9562265 0.84 CA1 (0.46) CA1CA2HTTF2RALDH1A1
SCHEMBL4947905 0.77 ALDH1A1 (0.38) ALDH1A1KDM4EGAAMAPTPOLB
SCHEMBL56012 0.76 RELA (0.52) HTTALDH1A1KDM4EMAPTPOLB
SCHEMBL56013 0.76 RELA (0.52) HTTALDH1A1KDM4EMAPTPOLB
SCHEMBL11486633 0.75 RELA (0.55) CA1CA2ALDH1A1KDM4EMAPT
SCHEMBL31050903 0.75 CA1 (0.52) CA1CA2HTTALDH1A1KDM4E
SCHEMBL31050902 0.75 CA1 (0.52) CA1CA2HTTALDH1A1KDM4E
SCHEMBL32172 0.75 CA1 (0.52) CA1CA2HTTALDH1A1KDM4E
SCHEMBL1932223 0.75 TSHR (0.48) CA1CA2HTTF2RALDH1A1
SCHEMBL29732385 0.75 TSHR (0.48) CA1CA2HTTF2RALDH1A1

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-6921589-B2 Electroluminescent elements TORAY INDUSTRIES, INC. (JP) 2005-07-26 — — US disclosed
US-20020160227-A1 Electroluminescent elements KOHAMA AKIRA (JP) 2002-10-31 — — US disclosed
EP-1000998-B1 Electroluminescent element and devices TORAY INDUSTRIES (JP) 2002-10-09 — — EP disclosed
EP-1000998-A1 Electroluminescent element and devices TORAY INDUSTRIES, INC. (JP) 2000-05-17 — — EP disclosed
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