SCHEMBL27832802

SCHEMBL27832802

Nc1ccc(N)c([N+](=O)[O-])c1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
USP2 O75604 1/20 0.53
KEAP1 Q14145 1/20 0.53
NFE2L2 Q16236 1/20 0.53
ALDH1A1 P00352 6/20 0.52
TDP1 Q9NUW8 7/20 0.50
CYP3A4 P08684 3/20 0.50
POLB P06746 1/20 0.50
MAPT P10636 1/20 0.50
ALOX15 P16050 1/20 0.50
TSHR P16473 3/20 0.46
GAA P10253 1/20 0.46
THRB P10828 1/20 0.46
LMNA P02545 2/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL3700629 0.90 MEN1 (0.47) MEN1KMT2AUSP2KEAP1NFE2L2
SCHEMBL304540 0.88 TDP1 (0.52) MEN1KMT2AUSP2KEAP1NFE2L2
SCHEMBL30488438 0.87 MEN1 (0.48) MEN1KMT2AUSP2KEAP1NFE2L2
SCHEMBL6048769 0.87 MEN1 (0.48) MEN1KMT2AUSP2KEAP1NFE2L2
SCHEMBL12170111 0.87 MEN1 (0.48) MEN1KMT2AUSP2KEAP1NFE2L2
SCHEMBL938653 0.86 TSHR (0.57) MEN1KMT2AUSP2KEAP1NFE2L2
SCHEMBL8069993 0.86 ALDH1A1 (0.47) MEN1KMT2AUSP2KEAP1NFE2L2
SCHEMBL8066551 0.86 MEN1 (0.44) MEN1KMT2AUSP2KEAP1NFE2L2
SCHEMBL27851139 0.86 GAA (0.57) MEN1KMT2AUSP2KEAP1NFE2L2
SCHEMBL10902570 0.84 MEN1 (0.47) MEN1KMT2AUSP2KEAP1NFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109337065-B Soluble aminated rigid rod polymer and preparation method and composition thereof 浙江大学 2022-11-11 CN disclosed
CN-109337065-A A kind of soluble Amino Rigid-rod polymer and preparation method thereof and composition 浙江大学 2019-02-15 CN disclosed
CN-102028625-A Antibacterial hair dye containing silver ions BAOLAN AN 2011-04-27 CN disclosed