SCHEMBL7588970

SCHEMBL7588970

CC1=Cc2ccccc2C1C[SiH](CC1C(C)=Cc2ccccc21)[Zr](Cl)Cl

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.34
KDM4E B2RXH2 2/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
CHRM2 P08172 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CHRM1 P11229 1/20 0.32
DRD2 P14416 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
NFKB1 P19838 1/20 0.32
CHRM3 P20309 1/20 0.32
SLC6A2 P23975 1/20 0.32
HTR2C P28335 1/20 0.32
ADRA1A P35348 1/20 0.32
HRH1 P35367 1/20 0.32
DRD3 P35462 1/20 0.32
THPO P40225 1/20 0.32
OPRK1 P41145 1/20 0.32

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
SCHEMBL7194346 0.79 HTR2A (0.36) HTR2AKDM4ELMNATP53CHRM2
SCHEMBL1452870 0.76 HTR2A (0.42) HTR2AKDM4ELMNATP53CHRM2
SCHEMBL1453437 0.76 HTR2A (0.42) HTR2AKDM4ELMNATP53CHRM2
SCHEMBL7587142 0.75 PDCD1 (0.33)
SCHEMBL4005225 0.74 HTR2A (0.41) HTR2AKDM4ELMNATP53CHRM2
SCHEMBL6238627 0.74 HTR2A (0.41) HTR2AKDM4ELMNATP53CHRM2
SCHEMBL8679551 0.73 HTR2A (0.39) HTR2AKDM4ELMNATP53CHRM2
SCHEMBL7105374 0.73 HTR2A (0.47) HTR2AKDM4ELMNATP53CHRM2
SCHEMBL7586039 0.72 MEN1 (0.31) MEN1KMT2A
SCHEMBL7583845 0.72 HTR2A (0.31) HTR2A

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-1115730-B1 CATALYTIC PROCESS FOR ISOMERIZING METALLOCENES ALBEMARLE CORP (US) 2002-10-02 EP disclosed
EP-1115730-A1 CATALYTIC PROCESS FOR ISOMERIZING METALLOCENES ALBEMARLE CORPORATION (US) 2001-07-18 EP disclosed
WO-2000017213-A1 CATALYTIC PROCESS FOR ISOMERIZING METALLOCENES ALBEMARLE CORPORATION (US) 2000-03-30 WO disclosed
US-5965759-A Catalytic process for isomerizing metallocenes ALBEMARLE CORPORATION (US) 1999-10-12 US disclosed