SCHEMBL28908609

SCHEMBL28908609

O=[N+]([O-])c1ccccc1CO[SiH2]OCc1ccccc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.56
TSHR P16473 1/20 0.56
HTT P42858 1/20 0.55
HPGD P15428 1/20 0.51
MAOB P27338 1/20 0.50
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
RECQL P46063 1/20 0.46
KMT2A Q03164 1/20 0.44
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
HSD17B10 Q99714 1/20 0.42
HTR1A P08908 1/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
ACHE P22303 1/20 0.42
MAPT P10636 2/20 0.41

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
SCHEMBL7944109 0.90 ALDH1A1 (0.50) ALDH1A1TSHRHTTHPGDMAOB
SCHEMBL28339719 0.83 ALDH1A1 (0.58) ALDH1A1TSHRHTTHPGDMAOB
SCHEMBL11057498 0.83 ALDH1A1 (0.50) ALDH1A1TSHRHTTHPGDMAOB
SCHEMBL77922 0.82 ALDH1A1 (0.62) ALDH1A1TSHRHTTHPGDMAOB
SCHEMBL23091898 0.79 ALDH1A1 (0.58) ALDH1A1TSHRHTTHPGDMAOB
SCHEMBL1520430 0.79 ALDH1A1 (0.58) ALDH1A1TSHRHTTHPGDMAOB
SCHEMBL8723683 0.79 ALDH1A1 (0.58) ALDH1A1TSHRHTTHPGDMAOB
SCHEMBL22590899 0.79 ALDH1A1 (0.58) ALDH1A1TSHRHTTHPGDMAOB
SCHEMBL12006800 0.79 ALDH1A1 (0.58) ALDH1A1TSHRHTTHPGDMAOB
SCHEMBL261866 0.79 ALDH1A1 (0.58) ALDH1A1TSHRHTTHPGDMAOB

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