SCHEMBL11062072

SCHEMBL11062072

O=[N+]([O-])c1ccccc1COC(OCc1ccccc1[N+](=O)[O-])c1ccccc1[SiH3]

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
HTT P42858 2/20 0.47
TSHR P16473 2/20 0.46
MAOB P27338 1/20 0.46
HPGD P15428 1/20 0.43
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
RECQL P46063 1/20 0.41
KMT2A Q03164 2/20 0.41
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
KDM4A O75164 1/20 0.40
MGAM O43451 2/20 0.39
HTR1A P08908 1/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
CYP1A2 P05177 1/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL11505765 0.79 ALDH1A1 (0.56) ALDH1A1HTTTSHRMAOBHPGD
SCHEMBL1818771 0.76 ALDH1A1 (0.53) ALDH1A1HTTTSHRMAOBHPGD
SCHEMBL1859840 0.74 ALDH1A1 (0.58) ALDH1A1HTTTSHRMAOBHPGD
SCHEMBL31615063 0.74 ALDH1A1 (0.58) ALDH1A1HTTTSHRMAOBHPGD
SCHEMBL7117062 0.74 ALDH1A1 (0.50) ALDH1A1HTTTSHRMAOBHPGD
SCHEMBL77922 0.73 ALDH1A1 (0.62) ALDH1A1HTTTSHRMAOBHPGD
SCHEMBL9782572 0.73 MAOB (0.51) ALDH1A1HTTTSHRMAOBHPGD
SCHEMBL6327020 0.72 ALDH1A1 (0.48) ALDH1A1HTTTSHRMAOBHPGD
SCHEMBL7927423 0.72 ALDH1A1 (0.48) ALDH1A1HTTTSHRMAOBHPGD
SCHEMBL7521045 0.72 ALDH1A1 (0.48) ALDH1A1HTTTSHRMAOBHPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4476290-A Photocurable silicon compound composition TOKYO SHIBAURA DENKI KABUSHIKI KAISHA (JP) 1984-10-09 US disclosed
EP-0104590-A1 Photocurable silicon compound composition KABUSHIKI KAISHA TOSHIBA (JP) 1984-04-04 EP disclosed