SCHEMBL30727558

SCHEMBL30727558

O=C(Oc1ccccc1[N+](=O)[O-])c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.71
CYP1A2 P05177 1/20 0.71
CYP2C9 P11712 1/20 0.71
KMT2A Q03164 4/20 0.60
ALDH1A1 P00352 4/20 0.60
MEN1 O00255 2/20 0.60
TTR P02766 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA9 Q16790 1/20 0.54
TDP1 Q9NUW8 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.51
NPC1 O15118 1/20 0.51
RECQL P46063 1/20 0.51
RAB9A P51151 1/20 0.51
MDM2 Q00987 1/20 0.51
ALOX5 P09917 3/20 0.50
SLC6A3 Q01959 1/20 0.50

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
SCHEMBL527543 1.00 MAPT (0.71) MAPTCYP1A2CYP2C9KMT2AALDH1A1
Guanidine SCHEMBL1486812 0.94 MAPT (0.68) MAPTCYP1A2CYP2C9KMT2AALDH1A1
SCHEMBL16335592 0.91 MAPT (0.60) MAPTCYP1A2CYP2C9KMT2AALDH1A1
SCHEMBL17165000 0.90 MAPT (0.68) MAPTCYP1A2CYP2C9KMT2AALDH1A1
SCHEMBL3150116 0.90 MAPT (0.63) MAPTCYP1A2CYP2C9KMT2AALDH1A1
SCHEMBL4071946 0.87 MAPT (0.60) MAPTCYP1A2CYP2C9KMT2AALDH1A1
SCHEMBL19439042 0.87 MAPT (0.60) MAPTCYP1A2CYP2C9KMT2AALDH1A1
SCHEMBL3102944 0.87 MAPT (0.57) MAPTCYP1A2CYP2C9KMT2AALDH1A1
SCHEMBL19543189 0.86 MAPT (0.59) MAPTCYP1A2CYP2C9KMT2AALDH1A1
SCHEMBL9391342 0.84 ALDH1A1 (0.58) MAPTCYP1A2CYP2C9KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-121554436-A Preparation method of hydrogen-containing silane-mediated benzoxazole derivative 浙江科技大学 2026-02-24 CN disclosed
CN-117431283-A Biosynthesis method of nicotinamide adenine dinucleotide compound 湖北医药学院 2024-01-23 CN disclosed