SCHEMBL28276151

SCHEMBL28276151

O=[N+]([O-])c1ccc(Oc2ccccc2I)cc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
HTT P42858 1/20 0.49
F10 P00742 1/20 0.44
HSPB1 P04792 2/20 0.42
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
TTR P02766 1/20 0.41
ALB P02768 1/20 0.41
THRB P10828 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HPGD P15428 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
RECQL P46063 1/20 0.40
TLR8 Q9NR97 1/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
MAPT P10636 3/20 0.39
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
SCHEMBL11775275 0.84 ALDH1A1 (0.51) ALDH1A1HTTF10HSPB1KMT2A
SCHEMBL11778043 0.81 ALDH1A1 (0.51) ALDH1A1HTTF10HSPB1KMT2A
SCHEMBL4543292 0.79 ALDH1A1 (0.64) ALDH1A1HTTHSPB1KMT2AMEN1
SCHEMBL1864453 0.78 HPGD (0.64) ALDH1A1HTTHSPB1KMT2AMEN1
SCHEMBL10717379 0.78 ALDH1A1 (0.55) ALDH1A1HTTKMT2AMEN1TDP1
SCHEMBL11777721 0.76 ALDH1A1 (0.57) ALDH1A1HTTF10KMT2AMEN1
SCHEMBL4843320 0.74 GPR35 (0.51) ALDH1A1HTTF10HSPB1KMT2A
SCHEMBL17086981 0.74 HSPB1 (0.57) ALDH1A1HSPB1KMT2AMEN1TDP1
SCHEMBL10854114 0.73 ALDH1A1 (0.70) ALDH1A1HTTHSPB1KMT2AMEN1
SCHEMBL3847171 0.73 ALDH1A1 (0.52) ALDH1A1HTTKMT2AL3MBTL1TSHR

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
CN-109384764-B Phenyl thiophene sulfonamide compound, pharmaceutical composition, preparation method and application thereof 中国科学院上海有机化学研究所 2021-09-03 CN disclosed
CN-109384764-A Tolylthiophene sulfamide compound, pharmaceutical composition, preparation method and application 中国科学院上海有机化学研究所 2019-02-26 CN disclosed