SCHEMBL28013221

SCHEMBL28013221

O=[N+]([O-])c1c[nH]c([N+](=O)[O-])n1.[Fe]

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.32
ALDH1A1 P00352 3/20 0.32
NAMPT P43490 1/20 0.32
XDH P47989 1/20 0.32
KDM4E B2RXH2 3/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 3/20 0.32
NOS1 P29475 3/20 0.32
TDP1 Q9NUW8 2/20 0.32
LMNA P02545 1/20 0.32
ALOX15 P16050 1/20 0.32
POLB P06746 1/20 0.32
MAOB P27338 1/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
THRB P10828 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
APEX1 P27695 1/20 0.32
NOS3 P29474 1/20 0.32

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
SCHEMBL64072 0.98 CYP3A4 (0.33) CYP3A4ALDH1A1NAMPTXDHKDM4E
SCHEMBL27960253 0.95 CYP3A4 (0.32) CYP3A4ALDH1A1NAMPTXDHKDM4E
SCHEMBL28013804 0.95 CYP3A4 (0.32) CYP3A4ALDH1A1NAMPTXDHKDM4E
SCHEMBL9627673 0.77
SCHEMBL1853410 0.76
SCHEMBL2302179 0.76
SCHEMBL3607269 0.76
SCHEMBL58560 0.76
SCHEMBL7555586 0.76
SCHEMBL1849999 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104631085-B A kind of bamboo fiber yarn cold bleaching technique 南通鑫唐纺织印染有限公司 2017-10-24 CN claimed
CN-104631085-A Low-temperature bleaching process of bamboo fiber yarn NANTONG XINTANG TEXTILE PRINTING AND DYEING CO LTD 2015-05-20 CN claimed
CN-104631085-B A kind of bamboo fiber yarn cold bleaching technique 南通鑫唐纺织印染有限公司 2017-10-24 CN disclosed
CN-104631085-A Low-temperature bleaching process of bamboo fiber yarn NANTONG XINTANG TEXTILE PRINTING AND DYEING CO LTD 2015-05-20 CN disclosed