SCHEMBL5603349

SCHEMBL5603349

Cl[Zr](Cl)(C1C(n2cccc2)=Cc2ccccc21)C1C(n2c3c(c4ccccc42)CCC3)=Cc2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.37
CA2 P00918 3/20 0.37
HTR6 P50406 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
KDM4E B2RXH2 1/20 0.31
GLA P06280 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL5603591 0.98 CA1 (0.38) CA1CA2HTR6MEN1KMT2A
SCHEMBL5601269 0.86 CA1 (0.34) CA1CA2HTR6
SCHEMBL5603829 0.84 KDM4E (0.30) KDM4E
SCHEMBL5600162 0.84 CA1 (0.35) CA1CA2HTR6MEN1KMT2A
SCHEMBL5601901 0.84 CA1 (0.30) CA1CA2
SCHEMBL5601576 0.83 CA1 (0.34) CA1CA2KDM4E
SCHEMBL5601394 0.82 CA1 (0.31) CA1CA2
SCHEMBL5602830 0.82 CA1 (0.33) CA1CA2
SCHEMBL5602132 0.81 CA1 (0.34) CA1CA2HTR6MEN1KMT2A
SCHEMBL5603395 0.81 CA1 (0.39) CA1CA2HTR6MEN1KMT2A

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