SCHEMBL5600944

SCHEMBL5600944

CCCCCC1=c2ccccc2=C(C)[N]1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KCNH2 Q12809 3/20 0.40
HSD11B1 P28845 1/20 0.38
MAPT P10636 1/20 0.38
LIPG Q9Y5X9 1/20 0.37
GPR84 Q9NQS5 1/20 0.36
HTR2A P28223 1/20 0.36
TLR8 Q9NR97 1/20 0.35
CYP19A1 P11511 2/20 0.35

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
SCHEMBL5601999 0.98 KCNH2 (0.43) TDP1L3MBTL1KCNH2HSD11B1MAPT
SCHEMBL5601403 0.98 KCNH2 (0.43) TDP1L3MBTL1KCNH2HSD11B1MAPT
SCHEMBL5600971 0.98 KCNH2 (0.43) TDP1L3MBTL1KCNH2HSD11B1MAPT
SCHEMBL5601607 0.98 KCNH2 (0.43) TDP1L3MBTL1KCNH2HSD11B1MAPT
SCHEMBL5604133 0.98 KCNH2 (0.43) TDP1L3MBTL1KCNH2HSD11B1MAPT
SCHEMBL5601752 0.98 KCNH2 (0.43) TDP1L3MBTL1KCNH2HSD11B1MAPT
SCHEMBL5602154 0.94 HSD11B1 (0.37) TDP1L3MBTL1KCNH2HSD11B1MAPT
SCHEMBL5602310 0.88 TDP1 (0.46) TDP1L3MBTL1KCNH2HSD11B1MAPT
SCHEMBL5600036 0.86 KCNH2 (0.48) TDP1L3MBTL1KCNH2MAPTLIPG
SCHEMBL5601377 0.86 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