SCHEMBL28057744

SCHEMBL28057744

O=C([SnH])COc1ccccc1[N+](=O)[O-]

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.68
KMT2A Q03164 4/20 0.68
MEN1 O00255 2/20 0.68
HTT P42858 1/20 0.68
KDM4E B2RXH2 3/20 0.66
RAB9A P51151 5/20 0.64
NPC1 O15118 3/20 0.64
RECQL P46063 1/20 0.64
GBA1 P04062 1/20 0.60
MAPK1 P28482 1/20 0.60
SMN1; SMN2 Q16637 2/20 0.59
POLB P06746 2/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
MAPT P10636 1/20 0.52
TDP1 Q9NUW8 2/20 0.51
SENP8 Q96LD8 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
SENP6 Q9GZR1 1/20 0.51

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
SCHEMBL922764 0.87 ALDH1A1 (0.68) ALDH1A1KMT2AMEN1HTTKDM4E
SCHEMBL1613946 0.85 ALDH1A1 (0.74) ALDH1A1KMT2AMEN1HTTKDM4E
SCHEMBL10402616 0.83 ALDH1A1 (0.68) ALDH1A1KMT2AMEN1HTTKDM4E
SCHEMBL3298308 0.83 ALDH1A1 (0.68) ALDH1A1KMT2AMEN1HTTKDM4E
SCHEMBL1146176 0.83 ALDH1A1 (0.72) ALDH1A1KMT2AMEN1HTTKDM4E
SCHEMBL114014 0.83 ALDH1A1 (0.70) ALDH1A1KMT2AMEN1HTTKDM4E
SCHEMBL5447871 0.81 ALDH1A1 (1.00) ALDH1A1KMT2AMEN1HTTKDM4E
SCHEMBL30597073 0.81 ALDH1A1 (0.68) ALDH1A1KMT2AMEN1HTTKDM4E
SCHEMBL12309435 0.81 ALDH1A1 (0.68) ALDH1A1KMT2AMEN1HTTKDM4E
SCHEMBL27950196 0.80 ALDH1A1 (0.74) ALDH1A1KMT2AMEN1HTTKDM4E

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-102105481-B Chemically modified nucleoside 5' -triphosphates for hot start amplification of nucleic acids TRILINK BIOTECHNOLOGIES (US) 2016-02-24 CN disclosed