SCHEMBL8970940

SCHEMBL8970940

[Na]C1C=Cc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.41
HTR6 P50406 1/20 0.40
SIGMAR1 Q99720 6/20 0.33
KDM4E B2RXH2 3/20 0.33
CYP2D6 P10635 2/20 0.33
TP53 P04637 2/20 0.33
CYP3A4 P08684 2/20 0.33
HSD17B10 Q99714 2/20 0.33
BRD4 O60885 1/20 0.33
CCL2 P13500 1/20 0.33
LMNA P02545 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
DRD2 P14416 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
NFKB1 P19838 1/20 0.33
CHRM3 P20309 1/20 0.33
SLC6A2 P23975 1/20 0.33
HTR2C P28335 1/20 0.33

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
SCHEMBL30408918 1.00 HTR2A (0.41) HTR2AHTR6SIGMAR1KDM4ECYP2D6
SCHEMBL5698322 0.74 HTR2A (0.44) HTR2AHTR6SIGMAR1KDM4ECYP2D6
Hydrochloric Acid SCHEMBL7535333 0.73 HTR2A (0.40) HTR2AHTR6SIGMAR1KDM4ECYP2D6
Hydrochloric Acid SCHEMBL9054775 0.73 HTR2A (0.40) HTR2AHTR6SIGMAR1KDM4ECYP2D6
Hydrochloric Acid SCHEMBL3761120 0.73 HTR2A (0.40) HTR2AHTR6SIGMAR1KDM4ECYP2D6
Hydrochloric Acid SCHEMBL29723413 0.73 HTR2A (0.40) HTR2AHTR6SIGMAR1KDM4ECYP2D6
Fluoride Ion SCHEMBL5183865 0.73 HTR2A (0.40) HTR2AHTR6SIGMAR1KDM4ECYP2D6
SCHEMBL3738814 0.73 HTR2A (0.40) HTR2AHTR6SIGMAR1KDM4ECYP2D6
SCHEMBL31046607 0.72 HTR2A (0.43) HTR2AHTR6SIGMAR1KDM4ECYP2D6
SCHEMBL6233907 0.72 HTR2A (0.43) HTR2AHTR6SIGMAR1KDM4ECYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5492974-A Process for preparing polymer bound metallocenes PHILLIPS PETROLEUM COMPANY (US) 1996-02-20 US disclosed
US-5492973-A Polymer bound ligands PHILLIPS PETROLEUM COMPANY (US) 1996-02-20 US disclosed
US-5492978-A Process for preparing catalyst system PHILLIPS PETROLEUM COMPANY (US) 1996-02-20 US disclosed
US-5492985-A Polymerization processes PHILLIPS PETROLEUM COMPANY (US) 1996-02-20 US disclosed
US-5492975-A Polymer bound metallocenes PHILLIPS PETROLEUM COMPANY (US) 1996-02-20 US disclosed
EP-0690076-A1 Polymer bound ligands, polymer bound metallocenes, catalyst systems, preparation, and use PHILLIPS PETROLEUM COMPANY (US) 1996-01-03 EP disclosed
US-5473020-A Polymer bound ligands, polymer bound metallocenes, catalyst systems, preparation, and use PHILLIPS PETROLEUM COMPANY (US) 1995-12-05 US disclosed