SCHEMBL30697353

SCHEMBL30697353

O=[N+]([O-])c1ccc(N(c2ccccc2)c2ccccc2)cc1[N+](=O)[O-]

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.61
MEN1 O00255 4/20 0.61
KMT2A Q03164 4/20 0.61
L3MBTL1 Q9Y468 2/20 0.61
CRHBP P24387 2/20 0.61
CRHR2 Q13324 2/20 0.61
ATM Q13315 1/20 0.61
TLR9 Q9NR96 1/20 0.61
CASP6 P55212 2/20 0.46
CYP3A4 P08684 3/20 0.46
TSHR P16473 1/20 0.46
MAPT P10636 2/20 0.43
VCAM1 P19320 1/20 0.42
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HSD17B10 Q99714 2/20 0.41

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
SCHEMBL27602464 0.86 ALDH1A1 (0.67) ALDH1A1MEN1KMT2AL3MBTL1CRHBP
SCHEMBL22708732 0.84 VCAM1 (0.60) ALDH1A1MEN1KMT2AL3MBTL1CRHBP
SCHEMBL18161905 0.84 MAPT (0.65) ALDH1A1MEN1KMT2AL3MBTL1CRHBP
SCHEMBL7851908 0.84 ALDH1A1 (0.56) ALDH1A1MEN1KMT2AL3MBTL1CRHBP
SCHEMBL14928327 0.84 MEN1 (0.56) ALDH1A1MEN1KMT2AL3MBTL1CRHBP
SCHEMBL8372593 0.84 ALDH1A1 (0.56) ALDH1A1MEN1KMT2AL3MBTL1CRHBP
SCHEMBL19021741 0.84 KMT2A (0.56) ALDH1A1MEN1KMT2AL3MBTL1CRHBP
SCHEMBL27981279 0.82 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AL3MBTL1CRHBP
SCHEMBL23866427 0.80 MEN1 (0.51) ALDH1A1MEN1KMT2AL3MBTL1CRHBP
SCHEMBL18161906 0.80 ALDH1A1 (0.51) ALDH1A1MEN1KMT2AL3MBTL1CRHBP

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-117069643-A Novel free radical monomer containing diphenylamine derivative structure, polymer, preparation method and application thereof 武汉理工大学 2023-11-17 CN disclosed