SCHEMBL28040833

SCHEMBL28040833

CC(C)C1=C[C]([Si](c2cccc(CN)c2)(c2cccc(CN)c2)c2cccc(CN)c2)C=C1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.35
ENPP2 Q13822 1/20 0.35
NOS1 P29475 4/20 0.33
NOS2 P35228 4/20 0.33
LOXL2 Q9Y4K0 3/20 0.33
ALDH1A1 P00352 2/20 0.33
NOS3 P29474 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CYP3A4 P08684 1/20 0.33
NFKB1 P19838 1/20 0.33
PRMT6 Q96LA8 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
SCHEMBL28040862 0.89 PNMT (0.32) PNMTENPP2NOS1NOS2LOXL2
SCHEMBL28040769 0.82 NOS1 (0.37) PNMTENPP2NOS1NOS2LOXL2
SCHEMBL28040871 0.78 HDAC4 (0.35) ALDH1A1SMN1; SMN2CYP3A4
SCHEMBL28040497 0.78 PNMT (0.34) PNMTENPP2NOS1NOS2LOXL2
SCHEMBL27886343 0.77
SCHEMBL28040417 0.77 PNMT (0.33) PNMTENPP2NOS1NOS2LOXL2
Methylamine SCHEMBL28040876 0.76 PNMT (0.40) PNMTENPP2NOS1NOS2LOXL2
SCHEMBL28040832 0.75
SCHEMBL28040356 0.75 TLR8 (0.36) PNMTENPP2
SCHEMBL27933448 0.72 ADRA1D (0.37) PNMTENPP2NOS1NOS2LOXL2

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-102666561-B Transition metal complex, the cyclopentadiene compound of catalyst for trimerization and replacement SUMITOMO CHEMICAL CO.,LTD. (JP) 2015-11-25 CN disclosed