SCHEMBL28538587

SCHEMBL28538587

CCC(O[SiH3])c1ccccc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
TSHR P16473 3/20 0.44
CYP1A2 P05177 2/20 0.44
TDP1 Q9NUW8 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 2/20 0.42
HSD17B10 Q99714 1/20 0.42
RECQL P46063 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
HTT P42858 1/20 0.37

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
SCHEMBL17695124 0.84 ALDH1A1 (0.49) ALDH1A1TSHRCYP1A2TDP1SMN1; SMN2
SCHEMBL1060758 0.81 ALDH1A1 (0.47) ALDH1A1TSHRCYP1A2TDP1SMN1; SMN2
SCHEMBL8067996 0.80 ALDH1A1 (0.59) ALDH1A1TSHRCYP1A2TDP1SMN1; SMN2
SCHEMBL28398494 0.79 ALDH1A1 (0.51) ALDH1A1TSHRCYP1A2TDP1SMN1; SMN2
SCHEMBL28459994 0.78 ALDH1A1 (0.53) ALDH1A1TSHRCYP1A2TDP1SMN1; SMN2
SCHEMBL4620924 0.78 ALDH1A1 (0.43) ALDH1A1TSHRCYP1A2TDP1SMN1; SMN2
SCHEMBL9679556 0.78 ALDH1A1 (0.51) ALDH1A1TSHRCYP1A2TDP1HSD17B10
SCHEMBL7564168 0.77 ALDH1A1 (0.49) ALDH1A1TSHRCYP1A2TDP1LMNA
SCHEMBL6680488 0.76 ALDH1A1 (0.50) ALDH1A1TSHRCYP1A2TDP1LMNA
SCHEMBL18138445 0.76 CYP1A2 (0.51) ALDH1A1TSHRCYP1A2TDP1SMN1; SMN2

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