SCHEMBL9751370

SCHEMBL9751370

Nc1c([N+](=O)[O-])cc(NC=O)cc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
CYP3A4 P08684 3/20 0.43
MAPT P10636 3/20 0.39
CTSB P07858 1/20 0.39
LMNA P02545 1/20 0.39
TDP1 Q9NUW8 4/20 0.37
TSHR P16473 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ALOX15 P16050 2/20 0.37
POLB P06746 1/20 0.37
XDH P47989 1/20 0.37
ALDH5A1 P51649 1/20 0.37
ABAT P80404 1/20 0.37
VCAM1 P19320 1/20 0.37
MAPK1 P28482 2/20 0.37
KDM4E B2RXH2 1/20 0.37
G6PD P11413 1/20 0.37
PKM P14618 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL27685352 0.80 MAPT (0.55) ALDH1A1CYP3A4MAPTLMNATDP1
SCHEMBL4220780 0.77 TSHR (0.47) ALDH1A1CYP3A4MAPTLMNATDP1
SCHEMBL3691338 0.74 CYP19A1 (0.50) ALDH1A1CYP3A4MAPTLMNATSHR
SCHEMBL7528440 0.73 ALDH1A1 (0.55) ALDH1A1CYP3A4MAPTLMNATDP1
SCHEMBL6754385 0.73 LMNA (0.54) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL7530821 0.73 VCAM1 (0.62) MAPTLMNAMEN1KMT2APOLB
SCHEMBL5080205 0.72 ALDH1A1 (0.58) ALDH1A1CYP3A4MAPTCTSBLMNA
SCHEMBL801576 0.70 VCAM1 (0.39) ALDH1A1MAPTLMNATSHRMEN1
SCHEMBL266593 0.70 ALDH1A1 (0.76) ALDH1A1CYP3A4MAPTLMNATDP1
SCHEMBL221077 0.70 ALDH1A1 (0.57) ALDH1A1CYP3A4MAPTCTSBLMNA

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-109761944-A A kind of chrysin amide derivatives and preparation method thereof and medical usage 武汉翼博济生生物科技有限公司 2019-05-17 CN claimed
EP-0406334-A4 HYDROGEL DYE FILM SENSING ELEMENTS AND THEIR PREPARATION 1991-11-13 EP disclosed
EP-0406334-A1 HYDROGEL DYE FILM SENSING ELEMENTS AND THEIR PREPARATION NELLCOR INCORPORATED (US) 1991-01-09 EP disclosed
WO-1990000572-A1 HYDROGEL DYE FILM SENSING ELEMENTS AND THEIR PREPARATION NELLCOR INCORPORATED (US) 1990-01-25 WO disclosed