SCHEMBL5602545

SCHEMBL5602545

CCCCCC1=C(CCCCC)c2ccccc2[N]1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.38
PTPN1 P18031 1/20 0.37
GPR3 P46089 1/20 0.36
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
LIPG Q9Y5X9 1/20 0.35
CNR1 P21554 1/20 0.35
GPR84 Q9NQS5 1/20 0.34
HSD11B1 P28845 2/20 0.34
TLR8 Q9NR97 1/20 0.33

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
SCHEMBL5599885 0.98 KCNH2 (0.41) KCNH2PTPN1GPR3NR1H2NR1H3
SCHEMBL5603915 0.95 TDP1 (0.33) KCNH2PTPN1GPR3NR1H2NR1H3
SCHEMBL5600129 0.84 KDM4E (0.32)
SCHEMBL5603679 0.83 GCGR (0.38) KCNH2PTPN1GPR3NR1H2NR1H3
SCHEMBL5603031 0.81 KCNH2 (0.41) KCNH2PTPN1GPR3NR1H2NR1H3
SCHEMBL5601431 0.81 KCNH2 (0.41) KCNH2PTPN1GPR3NR1H2NR1H3
SCHEMBL5601435 0.81 KCNH2 (0.41) KCNH2PTPN1GPR3NR1H2NR1H3
SCHEMBL5601934 0.81 KCNH2 (0.41) KCNH2PTPN1GPR3NR1H2NR1H3
SCHEMBL5600379 0.81 KCNH2 (0.41) KCNH2PTPN1GPR3NR1H2NR1H3
SCHEMBL5602833 0.81 KCNH2 (0.41) KCNH2PTPN1GPR3NR1H2NR1H3

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