SCHEMBL5601012

SCHEMBL5601012

CCCCC1=Nc2c(C)cccc2[N]1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.33
TLR7 Q9NYK1 1/20 0.32
SKP2 Q13309 1/20 0.31
ELANE P08246 3/20 0.31
TLR8 Q9NR97 3/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HSD11B1 P28845 1/20 0.30
NOS2 P35228 1/20 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
SCHEMBL5600761 0.95 KCNH2 (0.40) KCNH2ELANETLR8HSD11B1
SCHEMBL5602689 0.94 KCNH2 (0.42) KCNH2TLR8
SCHEMBL5601266 0.94 KCNH2 (0.42) KCNH2TLR8
SCHEMBL5603834 0.94 KCNH2 (0.42) KCNH2TLR8
SCHEMBL5601446 0.94 KCNH2 (0.42) KCNH2TLR8
SCHEMBL5601443 0.94 KCNH2 (0.42) KCNH2TLR8
SCHEMBL5602892 0.94 KCNH2 (0.42) KCNH2TLR8
SCHEMBL5603581 0.94 KCNH2 (0.42) KCNH2TLR8
SCHEMBL5603766 0.90 TSHR (0.30)
SCHEMBL5603649 0.83 LIPG (0.34) KCNH2TLR8

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