SCHEMBL5600971

SCHEMBL5600971

CCCCCCCCCCC1=c2ccccc2=C(C)[N]1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.43
MAPT P10636 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LIPG Q9Y5X9 1/20 0.40
HTR2A P28223 1/20 0.38
HSD11B1 P28845 1/20 0.37
CYP19A1 P11511 3/20 0.37
TBXAS1 P24557 1/20 0.36
TLR8 Q9NR97 1/20 0.36

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
SCHEMBL5601752 1.00 KCNH2 (0.43) KCNH2MAPTTDP1L3MBTL1LIPG
SCHEMBL5601607 1.00 KCNH2 (0.43) KCNH2MAPTTDP1L3MBTL1LIPG
SCHEMBL5601999 1.00 KCNH2 (0.43) KCNH2MAPTTDP1L3MBTL1LIPG
SCHEMBL5601403 1.00 KCNH2 (0.43) KCNH2MAPTTDP1L3MBTL1LIPG
SCHEMBL5604133 1.00 KCNH2 (0.43) KCNH2MAPTTDP1L3MBTL1LIPG
SCHEMBL5600944 0.98 TDP1 (0.41) KCNH2MAPTTDP1L3MBTL1LIPG
SCHEMBL5602154 0.93 HSD11B1 (0.37) KCNH2MAPTTDP1L3MBTL1HSD11B1
SCHEMBL5600036 0.89 KCNH2 (0.48) KCNH2MAPTTDP1L3MBTL1LIPG
SCHEMBL5602310 0.87 TDP1 (0.46) KCNH2MAPTTDP1L3MBTL1LIPG
SCHEMBL5601377 0.85 KDM4E (0.34) CYP19A1

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