SCHEMBL28533256

SCHEMBL28533256

COc1cc([N+](=O)[O-])c(CO[SiH3])cc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
CYP2D6 P10635 2/20 0.44
KDM4E B2RXH2 3/20 0.43
MAPT P10636 2/20 0.43
CYP3A4 P08684 2/20 0.43
ALOX15 P16050 1/20 0.43
PRKDC P78527 1/20 0.43
HSD17B10 Q99714 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
PDGFRB P09619 1/20 0.41
FGFR1 P11362 1/20 0.41
PDGFRA P16234 1/20 0.41
FLT1 P17948 1/20 0.41
FGFR3 P22607 1/20 0.41
KDR P35968 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
GAA P10253 1/20 0.39

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 0.85 PDGFRB (0.42) ALDH1A1L3MBTL1MAPTCYP3A4ALOX15
SCHEMBL13252228 0.84 ALDH1A1 (0.51) ALDH1A1L3MBTL1CYP2D6KDM4EMAPT
SCHEMBL18138391 0.83 ALDH1A1 (0.47) ALDH1A1L3MBTL1CYP2D6KDM4EMAPT
SCHEMBL2736700 0.81 ALDH1A1 (0.46) ALDH1A1L3MBTL1CYP2D6KDM4EMAPT
SCHEMBL12089620 0.81 SMN1; SMN2 (0.45) ALDH1A1L3MBTL1CYP2D6KDM4EMAPT
SCHEMBL11251378 0.78 ALDH1A1 (0.55) ALDH1A1L3MBTL1CYP2D6KDM4EMAPT
SCHEMBL16181224 0.78 ALDH1A1 (0.52) ALDH1A1L3MBTL1CYP2D6KDM4EMAPT
SCHEMBL187211 0.78 ALDH1A1 (0.46) ALDH1A1L3MBTL1CYP2D6KDM4EMAPT
SCHEMBL16687494 0.78 ALDH1A1 (0.51) ALDH1A1L3MBTL1CYP2D6KDM4EMAPT
SCHEMBL2955974 0.77 ALDH1A1 (0.53) ALDH1A1L3MBTL1KDM4EMAPTCYP3A4

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