SCHEMBL5600528

SCHEMBL5600528

Cc1cc2ccccc2n1C1=Cc2ccccc2C1[Zr](Cl)(Cl)C1C(n2c(C)cc3ccccc32)=Cc2ccccc21

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HDAC9 Q9UKV0 1/20 0.31
SLC6A2 P23975 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
SCHEMBL5599895 0.94 MAPT (0.31) MAPTRXFP1
SCHEMBL5602899 0.93 MAPT (0.30) MAPTRXFP1
SCHEMBL5600271 0.92 BIRC5 (0.32)
SCHEMBL5603010 0.90
SCHEMBL5603227 0.90
SCHEMBL5602172 0.89
SCHEMBL5602860 0.87 MAPT (0.33) MAPTRXFP1HDAC1HDAC2HDAC8
SCHEMBL5601336 0.87 MAPT (0.33) MAPTRXFP1SLC6A2
SCHEMBL5602132 0.85 CA1 (0.34) MAPTRXFP1HDAC1HDAC6SLC6A2
SCHEMBL5601576 0.85 CA1 (0.34) MAPTRXFP1

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