SCHEMBL6553568

SCHEMBL6553568

CC1=Cc2c(-c3ccccc3)cccc2C1[Zr](Cl)(Cl)C1c2ccccc2-c2ccccc21

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
CHRNB2 P17787 1/20 0.30
CHRNA4 P43681 1/20 0.30
CYP2A6 P11509 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPK1 P28482 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
SCHEMBL2525984 0.96 PDCD1 (0.33) PDCD1CD274CHRNB2CHRNA4CYP2A6
Hydrochloric Acid SCHEMBL31386845 0.94 PDCD1 (0.33) PDCD1CD274CHRNB2CHRNA4CYP2A6
SCHEMBL7943368 0.94 PDCD1 (0.33) PDCD1CD274CHRNB2CHRNA4CYP2A6
SCHEMBL20496069 0.91 PDCD1 (0.31) PDCD1CD274CHRNB2CHRNA4CYP2A6
SCHEMBL21980379 0.90 PDCD1 (0.30) PDCD1CD274
SCHEMBL8633271 0.89
SCHEMBL7849130 0.89 PDCD1 (0.33) PDCD1CD274
SCHEMBL2520449 0.85
SCHEMBL8633284 0.85 CA12 (0.33) ALDH1A1
SCHEMBL8630713 0.85 PDCD1 (0.31) PDCD1CD274

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1077215-B1 Asymmetric silicon-bridged metallocenes useful as catalysts in the polymerization of a-olefins, process for their preparation and use of said metallocenes for the polymerization of a-olefins SOLVAY (BE) 2004-02-18 EP disclosed
US-6355747-B1 FOR POLYMERIZATION OF PROPYLENE TO PRODUCE ISOTACTIC POLYPROPYLENE SOLVAY POLYOLEFINS EUROPE-BELGIUM (BE) 2002-03-12 US disclosed
EP-1077215-A1 Asymmetric silicon-bridged metallocenes useful as catalysts in the polymerization of a-olefins, process for their preparation and use of said metallocenes for the polymerization of a-olefins SOLVAY POLYOLEFINS EUROPE - BELGIUM (Société Anonyme) (BE) 2001-02-21 EP disclosed
EP-0754698-A2 An olefin polymerization catalyst and a process for preparing olefin polymer MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1997-01-22 EP disclosed