SCHEMBL28617622

SCHEMBL28617622

O=C(CC1(O)C(=O)Nc2ccccc21)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 4/20 0.68
ALDH1A1 P00352 3/20 0.63
USP2 O75604 1/20 0.63
PKM P14618 1/20 0.63
HPGD P15428 1/20 0.60
TSHR P16473 1/20 0.60
HSD17B10 Q99714 1/20 0.60
LMNA P02545 3/20 0.57
MAPT P10636 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
NPSR1 Q6W5P4 1/20 0.56
MMP9 P14780 3/20 0.54
MMP2 P08253 2/20 0.54
IDO1 P14902 1/20 0.52
TDO2 P48775 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
HTT P42858 1/20 0.50
GAA P10253 1/20 0.50
GSK3B P49841 1/20 0.47
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL13274391 0.84 ALDH1A1 (0.71) MMP8ALDH1A1USP2PKMHPGD
SCHEMBL29458128 0.84 ALDH1A1 (0.71) MMP8ALDH1A1USP2PKMHPGD
SCHEMBL3487734 0.84 ALDH1A1 (0.71) MMP8ALDH1A1USP2PKMHPGD
SCHEMBL28454292 0.83 ALDH1A1 (0.70) MMP8ALDH1A1USP2PKMHPGD
SCHEMBL29458096 0.83 ALDH1A1 (0.70) MMP8ALDH1A1USP2PKMHPGD
SCHEMBL29458109 0.82 ALDH1A1 (0.69) MMP8ALDH1A1USP2PKMHPGD
SCHEMBL28459576 0.82 ALDH1A1 (0.69) MMP8ALDH1A1USP2PKMHPGD
SCHEMBL29458120 0.82 ALDH1A1 (0.69) MMP8ALDH1A1USP2PKMHPGD
SCHEMBL28609487 0.82 ALDH1A1 (0.69) MMP8ALDH1A1USP2PKMHPGD
SCHEMBL15337338 0.80 KDM4E (0.72) MMP8ALDH1A1USP2PKMHPGD

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-111518086-B Oxoindole-naphthofuran derivatives, preparation method and application thereof, and pharmaceutical composition and preparation containing same 广州医科大学 2021-08-06 CN claimed