SCHEMBL5601547

SCHEMBL5601547

CCCCCC1=c2ccccc2=C[N]1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.39
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LIPG Q9Y5X9 1/20 0.36
GPR84 Q9NQS5 1/20 0.35
TLR8 Q9NR97 1/20 0.34
HSD11B1 P28845 1/20 0.34
CYP19A1 P11511 4/20 0.34
SIGMAR1 Q99720 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
SCHEMBL5602667 0.98 KCNH2 (0.42) KCNH2TDP1L3MBTL1LIPGCYP19A1
SCHEMBL5602620 0.98 KCNH2 (0.42) KCNH2TDP1L3MBTL1LIPGCYP19A1
SCHEMBL5600203 0.98 KCNH2 (0.42) KCNH2TDP1L3MBTL1LIPGCYP19A1
SCHEMBL5603946 0.98 KCNH2 (0.42) KCNH2TDP1L3MBTL1LIPGCYP19A1
SCHEMBL5601661 0.98 KCNH2 (0.42) KCNH2TDP1L3MBTL1LIPGCYP19A1
SCHEMBL5601928 0.98 KCNH2 (0.42) KCNH2TDP1L3MBTL1LIPGCYP19A1
SCHEMBL5602153 0.98 KCNH2 (0.42) KCNH2TDP1L3MBTL1LIPGCYP19A1
SCHEMBL5600921 0.95 TLR8 (0.33) KCNH2TDP1L3MBTL1LIPGTLR8
SCHEMBL5601073 0.87 KDM4E (0.33) CYP19A1
SCHEMBL9483536 0.79 KCNH2 (0.38) KCNH2TDP1L3MBTL1LIPGGPR84

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