SCHEMBL28529326

SCHEMBL28529326

O=[N+]([O-])c1cc(Cl)c(Cl)cc1CO[SiH3]

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.40
GPR35 Q9HC97 2/20 0.40
TSHR P16473 4/20 0.39
MAPK1 P28482 1/20 0.39
ALDH1A1 P00352 5/20 0.38
SNCA P37840 1/20 0.38
TDP1 Q9NUW8 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
CYP1A2 P05177 1/20 0.36
VCAM1 P19320 3/20 0.36
PDE7A Q13946 2/20 0.36
CYP3A4 P08684 1/20 0.35

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
SCHEMBL9430032 0.79 PDGFRB (0.42) HSD17B10GPR35TSHRMAPK1ALDH1A1
SCHEMBL8842552 0.78 HSD17B10 (0.37) HSD17B10GPR35TSHRMAPK1ALDH1A1
SCHEMBL11108667 0.78 LMNA (0.37) HSD17B10GPR35TSHRMAPK1ALDH1A1
SCHEMBL31615039 0.78 LMNA (0.37) HSD17B10GPR35TSHRMAPK1ALDH1A1
SCHEMBL28530574 0.77 CYP1A2 (0.57) GPR35TSHRMAPK1ALDH1A1TDP1
SCHEMBL18138458 0.77 TSHR (0.44) HSD17B10GPR35TSHRMAPK1ALDH1A1
SCHEMBL11127500 0.77 PDK1 (0.46) HSD17B10GPR35TSHRMAPK1ALDH1A1
SCHEMBL3776675 0.76 TSHR (0.42) HSD17B10GPR35TSHRMAPK1ALDH1A1
SCHEMBL15158311 0.76 TSHR (0.42) HSD17B10GPR35TSHRMAPK1ALDH1A1
SCHEMBL4992543 0.76 SNCA (0.46) HSD17B10GPR35TSHRMAPK1ALDH1A1

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-112292414-A Cation-curable composition and method for producing cured product 迪睿合株式会社 2021-01-29 CN disclosed