SCHEMBL28249192

SCHEMBL28249192

C[Si](C)C1C=Cc2ccccc21.[Zr]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.41
KDM4E B2RXH2 2/20 0.37
CYP2D6 P10635 2/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
CHRM2 P08172 1/20 0.37
CYP3A4 P08684 1/20 0.37
CHRM1 P11229 1/20 0.37
DRD2 P14416 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
NFKB1 P19838 1/20 0.37
CHRM3 P20309 1/20 0.37
SLC6A2 P23975 1/20 0.37
HTR2C P28335 1/20 0.37
ADRA1A P35348 1/20 0.37
HRH1 P35367 1/20 0.37
DRD3 P35462 1/20 0.37
THPO P40225 1/20 0.37
OPRK1 P41145 1/20 0.37

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
SCHEMBL7937440 0.98 HTR2A (0.42) HTR2AKDM4ECYP2D6LMNATP53
SCHEMBL25269134 0.73 HTR2A (0.39) HTR2AKDM4ECYP2D6LMNATP53
SCHEMBL5698322 0.72 HTR2A (0.44) HTR2AKDM4ECYP2D6LMNATP53
SCHEMBL25218664 0.71 HTR2A (0.38) HTR2AKDM4ECYP2D6LMNATP53
Hydrochloric Acid SCHEMBL7772003 0.71 HTR2A (0.37) HTR2AKDM4ECYP2D6LMNATP53
SCHEMBL797215 0.69 HTR2A (0.36) HTR2AKDM4ECYP2D6LMNATP53
SCHEMBL9099460 0.69 HTR2A (0.36) HTR2AKDM4ECYP2D6LMNATP53
SCHEMBL797213 0.69 HTR2A (0.36) HTR2AKDM4ECYP2D6LMNATP53
SCHEMBL186866 0.69 HTR2A (0.41) HTR2AKDM4ECYP2D6LMNATP53
SCHEMBL6857385 0.68 RET (0.38) HTR2AKDM4ECYP2D6LMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106279485-B Polyvinyls, catalyst for olefines polymerizing ingredient, the catalyst for olefines polymerizing comprising the ingredient and the method using catalyst production polyvinyls 日本聚乙烯株式会社 2018-10-02 CN disclosed