SCHEMBL7065768

SCHEMBL7065768

C1=CC([Zr](C2C=Cc3ccccc32)C2c3ccccc3-c3ccccc32)c2ccccc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.33
HTR6 P50406 1/20 0.33
CYP2D6 P10635 2/20 0.33
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
NCOR2 Q9Y618 1/20 0.32
GPR3 P46089 1/20 0.31
KDM4E B2RXH2 3/20 0.31
LMNA P02545 2/20 0.31
HSD17B10 Q99714 2/20 0.31
TP53 P04637 1/20 0.31
CHRM2 P08172 1/20 0.31
CYP3A4 P08684 1/20 0.31
CHRM1 P11229 1/20 0.31
DRD2 P14416 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
SCHEMBL8517920 0.84 PDK2 (0.32) LMNAMEN1KMT2APOLB
SCHEMBL15863401 0.84 HTR2A (0.40) HTR2AHTR6CYP2D6KDM4ELMNA
SCHEMBL8676094 0.80 MEN1 (0.33) HTR2AHTR6CYP2D6GPR3KDM4E
SCHEMBL8596413 0.78 POLB (0.33) HTR2ACYP2D6HDAC3HDAC4HDAC7
SCHEMBL8857293 0.78 GPR3 (0.31) HTR2ACYP2D6GPR3KDM4ELMNA
SCHEMBL8857133 0.78 HTR2A (0.33) HTR2ACYP2D6GPR3KDM4ELMNA
SCHEMBL6917289 0.78 GPR3 (0.31) HTR2ACYP2D6GPR3KDM4ELMNA
Hydrochloric Acid SCHEMBL8380981 0.77 POLB (0.33) CYP2D6HDAC3HDAC4HDAC7HDAC8
Hydrochloric Acid SCHEMBL812023 0.77 KDM4E (0.35) HTR2ACYP2D6GPR3KDM4ELMNA
SCHEMBL5182239 0.76 ATM (0.31) CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0530908-B2 Process for the preparation of a bridged metallocene compound as well as a catalyst component and a process for the polymerization of olefins DSM NV (NL) 2003-06-04 EP disclosed
EP-0530908-B1 Process for the preparation of a bridged metallocene compound as well as a catalyst component and a process for the polymerization of olefins DSM NV (NL) 1999-04-21 EP disclosed
EP-0530908-A1 Process for the preparation of a bridged metallocene compound as well as a catalyst component and a process for the polymerization of olefins DSM N.V. (NL) 1993-03-10 EP disclosed