SCHEMBL29021111

SCHEMBL29021111

O=[N+]([O-])c1ccccc1-c1ccc([N+](=O)[O-])c([N+](=O)[O-])c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.66
TDP1 Q9NUW8 3/20 0.66
CYP3A4 P08684 2/20 0.50
MAPT P10636 2/20 0.50
HSD17B10 Q99714 2/20 0.50
TP53 P04637 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
MAPK1 P28482 1/20 0.50
CYP2C19 P33261 1/20 0.50
STAT6 P42226 1/20 0.50
HIF1A Q16665 1/20 0.50
PHLPP2 Q6ZVD8 1/20 0.50
TSHR P16473 1/20 0.47
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL27939312 0.87 ALDH1A1 (0.63) ALDH1A1TDP1CYP3A4MAPTHSD17B10
SCHEMBL27794878 0.85 ALDH1A1 (0.61) ALDH1A1TDP1CYP3A4MAPTHSD17B10
SCHEMBL15055251 0.85 ALDH1A1 (0.66) ALDH1A1TDP1CYP3A4MAPTHSD17B10
SCHEMBL17420850 0.85 ALDH1A1 (0.66) ALDH1A1TDP1CYP3A4MAPTHSD17B10
SCHEMBL27539548 0.84 PTPRC (0.49) ALDH1A1TDP1CYP3A4MAPTHSD17B10
SCHEMBL27920773 0.84 ALDH1A1 (0.46) ALDH1A1TDP1CYP3A4MAPTHSD17B10
SCHEMBL27491216 0.84 TDP1 (0.55) ALDH1A1TDP1CYP3A4MAPTHSD17B10
SCHEMBL16919513 0.84 ALDH1A1 (0.59) ALDH1A1TDP1CYP3A4MAPTHSD17B10
SCHEMBL27480430 0.84 ALDH1A1 (0.46) ALDH1A1TDP1CYP3A4MAPTHSD17B10
SCHEMBL27800365 0.84 MAPT (0.54) ALDH1A1TDP1CYP3A4MAPTHSD17B10

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-116323638-A Stapled peptides and methods thereof 弗格制药有限公司 2023-06-23 CN disclosed