SCHEMBL28040823

SCHEMBL28040823

CC1=Cc2ccccc2[C]1[Si](c1cccc(CN)c1)(c1cccc(CN)c1)c1cccc(CN)c1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 3/20 0.35
PNMT P11086 1/20 0.33
ENPP2 Q13822 1/20 0.33
HTR7 P34969 1/20 0.33
NOS1 P29475 5/20 0.32
NOS2 P35228 5/20 0.32
CSNK2A2 P19784 1/20 0.31
CSNK2B P67870 1/20 0.31
CSNK2A1 P68400 1/20 0.31
CSNK2A3 Q8NEV1 1/20 0.31
NOS3 P29474 3/20 0.31
ALDH1A1 P00352 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
CYP3A4 P08684 1/20 0.31
NFKB1 P19838 1/20 0.31
AKT2 P31751 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
SCHEMBL28040814 0.79 LOXL2 (0.45) LOXL2PNMTENPP2NOS1NOS2
SCHEMBL28040845 0.78 LMNA (0.32) ALDH1A1SMN1; SMN2CYP3A4
SCHEMBL28040770 0.78 PTAFR (0.33) ALDH1A1SMN1; SMN2
SCHEMBL28040418 0.76 CDC25A (0.33) ALDH1A1SMN1; SMN2CYP3A4
SCHEMBL28823624 0.74 LOXL2 (0.39) LOXL2PNMTENPP2NOS1NOS2
SCHEMBL28823631 0.70 CDC25A (0.35)
SCHEMBL28040359 0.70 PTAFR (0.34) ALDH1A1NFKB1
SCHEMBL28040774 0.69
SCHEMBL28040769 0.68 NOS1 (0.37) LOXL2PNMTENPP2NOS1NOS2
SCHEMBL28040628 0.67 LMNA (0.31)

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