SCHEMBL5603041

SCHEMBL5603041

Cl[Ti](Cl)(C1C(n2ncc3ccccc32)=Cc2ccccc21)C1C(n2ncc3ccccc32)=Cc2ccccc21

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.34
LRRK2 Q5S007 1/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
PDE10A Q9Y233 3/20 0.32
MAPK8 P45983 1/20 0.31
MAPK9 P45984 1/20 0.31
MAPK10 P53779 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
SCHEMBL5602767 0.78 MGAM (0.35) RECQLLRRK2MGAMGAASI
SCHEMBL5604112 0.78 RECQL (0.34) RECQLLRRK2MGAMGAASI
Hydrochloric Acid SCHEMBL5603035 0.77 LRRK2 (0.36) RECQLLRRK2MGAMGAASI
Hydrochloric Acid SCHEMBL5602758 0.77 LRRK2 (0.36) RECQLLRRK2MGAMGAASI
Hydrochloric Acid SCHEMBL5604106 0.77 LRRK2 (0.36) RECQLLRRK2MGAMGAASI
SCHEMBL5603229 0.76 RAB9A (0.39) GAAMAPK8MAPK9MAPK10
SCHEMBL5601159 0.75 BIRC5 (0.40)
SCHEMBL5602607 0.74
SCHEMBL5602777 0.73 KDM4E (0.35)
SCHEMBL5600827 0.72 MAPT (0.33) SLC6A2

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