SCHEMBL28040801

SCHEMBL28040801

CC1=CC=C[C]1[Si](c1cccc(CN)c1)(c1cccc(CN)c1)c1cccc(CN)c1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.37
ENPP2 Q13822 1/20 0.37
LOXL2 Q9Y4K0 3/20 0.35
NOS1 P29475 9/20 0.35
NOS2 P35228 8/20 0.35
NOS3 P29474 6/20 0.34
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
CYP3A4 P08684 1/20 0.34
NFKB1 P19838 1/20 0.34
PRMT6 Q96LA8 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
KARS1 Q15046 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
SCHEMBL28040350 0.81 PNMT (0.34) PNMTENPP2LOXL2NOS1NOS2
SCHEMBL28040454 0.81 PNMT (0.34) PNMTENPP2LOXL2NOS1NOS2
SCHEMBL28040378 0.77 TLR8 (0.36) PNMTENPP2NOS1NOS2NOS3
SCHEMBL28040501 0.77 PNMT (0.32) PNMTENPP2LOXL2NOS1NOS2
SCHEMBL27886335 0.76
Methylamine SCHEMBL28040876 0.76 PNMT (0.40) PNMTENPP2LOXL2NOS1NOS2
SCHEMBL28040769 0.75 NOS1 (0.37) PNMTENPP2LOXL2NOS1NOS2
SCHEMBL28040815 0.73
SCHEMBL1908526 0.70 PNMT (0.48) PNMTENPP2LOXL2NOS1NOS2
SCHEMBL28823624 0.69 LOXL2 (0.39) PNMTENPP2LOXL2NOS1NOS2

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