SCHEMBL5601576

SCHEMBL5601576

Cc1cc2ccccc2n1C1=Cc2ccccc2C1[Zr](Cl)(Cl)C1C(n2c3c(c4ccccc42)CCC3)=Cc2ccccc21

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.34
CA2 P00918 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.32
VCP P55072 1/20 0.32
MAPT P10636 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30
KDM4E B2RXH2 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
SCHEMBL5602132 0.98 CA1 (0.34) CA1CA2SMN1; SMN2VCPMAPT
SCHEMBL5599895 0.86 MAPT (0.31) MAPTRXFP1
SCHEMBL5601269 0.86 CA1 (0.34) CA1CA2
SCHEMBL5602830 0.85 CA1 (0.33) CA1CA2
SCHEMBL5600528 0.85 MAPT (0.33) MAPTRXFP1
SCHEMBL5600873 0.85 CA1 (0.36) CA1CA2SMN1; SMN2VCPMAPT
Hydrochloric Acid SCHEMBL5601565 0.84 SMN1; SMN2 (0.32) CA1CA2SMN1; SMN2VCPMAPT
SCHEMBL5600162 0.84 CA1 (0.35) CA1CA2KDM4E
SCHEMBL5600938 0.83 CA1 (0.33) CA1CA2SMN1; SMN2MAPTKDM4E
SCHEMBL5603349 0.83 CA1 (0.37) CA1CA2KDM4E

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