SCHEMBL5603013

SCHEMBL5603013

C1=C(n2c3ccccc3c3ccccc32)C([Zr]C2C(n3c4ccccc4c4ccccc43)=Cc3ccccc32)c2ccccc21.c1ccc(CCc2ccccc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
PTPN1 P18031 1/20 0.32
SIGMAR1 Q99720 1/20 0.30
KCNH2 Q12809 1/20 0.30
MAPK8 P45983 1/20 0.30
MAPK9 P45984 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
SCHEMBL5602715 0.88 KDM4E (0.33) KDM4EATML3MBTL1
Chloromethane SCHEMBL5603517 0.86 KDM4E (0.34) KDM4EATML3MBTL1
SCHEMBL5603025 0.84 CA1 (0.40) KDM4EBCHEACHE
SCHEMBL5603771 0.84 CA1 (0.41) KDM4EBCHEACHE
SCHEMBL5601464 0.80 VCP (0.34)
SCHEMBL5601962 0.79
SCHEMBL5602790 0.79 KDM4E (0.32) KDM4E
SCHEMBL5600803 0.78 BIRC5 (0.33) PTPN1
Chloromethane SCHEMBL5600647 0.75 KDM4E (0.33) KDM4EATM
SCHEMBL5601840 0.72 PLA2G4A (0.32)

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 2 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 disclosed
US-20050261449-A1 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENT INC. 2005-11-24 US disclosed