SCHEMBL5601443

SCHEMBL5601443

CCCCCCCCCCCCC1=Nc2c(C)cccc2[N]1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.42
GPR84 Q9NQS5 1/20 0.34
TBXAS1 P24557 1/20 0.33
CYSLTR2 Q9NS75 1/20 0.33
CYSLTR1 Q9Y271 1/20 0.33
LIPG Q9Y5X9 2/20 0.33
LPL P06858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
DHFR P00374 2/20 0.32
TLR8 Q9NR97 2/20 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
SCHEMBL5603581 1.00 KCNH2 (0.42) KCNH2GPR84TBXAS1CYSLTR2CYSLTR1
SCHEMBL5602689 1.00 KCNH2 (0.42) KCNH2GPR84TBXAS1CYSLTR2CYSLTR1
SCHEMBL5603834 1.00 KCNH2 (0.42) KCNH2GPR84TBXAS1CYSLTR2CYSLTR1
SCHEMBL5601266 1.00 KCNH2 (0.42) KCNH2GPR84TBXAS1CYSLTR2CYSLTR1
SCHEMBL5601446 1.00 KCNH2 (0.42) KCNH2GPR84TBXAS1CYSLTR2CYSLTR1
SCHEMBL5602892 1.00 KCNH2 (0.42) KCNH2GPR84TBXAS1CYSLTR2CYSLTR1
SCHEMBL5600761 0.98 KCNH2 (0.40) KCNH2GPR84TBXAS1CYSLTR2CYSLTR1
SCHEMBL5601012 0.94 KCNH2 (0.33) KCNH2TLR8
SCHEMBL5602787 0.84 LIPG (0.42) KCNH2LIPGTLR8
SCHEMBL5602726 0.83 LIPG (0.40) KCNH2LIPGTLR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7276567-B2 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-10-02 US claimed
US-7276567-B2 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-10-02 US disclosed
US-20050261449-A1 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENT INC. 2005-11-24 US disclosed