SCHEMBL28358317

SCHEMBL28358317

CC(O)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.59
CA1 P00915 2/20 0.59
MMP2 P08253 1/20 0.59
MMP9 P14780 1/20 0.59
MMP8 P22894 1/20 0.59
MMP14 P50281 1/20 0.59
ALDH1A1 P00352 5/20 0.57
HSD17B10 Q99714 2/20 0.57
RECQL P46063 1/20 0.57
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
MAPT P10636 5/20 0.52
KCNH3 Q9ULD8 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.50
HTT P42858 3/20 0.50
GAA P10253 2/20 0.50
HPGD P15428 1/20 0.48
ALOX12 P18054 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
LMNA P02545 2/20 0.48

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
SCHEMBL3141855 0.84 KCNH3 (0.63) CA12CA1MMP2MMP9MMP8
Hydrochloric Acid SCHEMBL7504066 0.82 KCNH3 (0.66) CA12CA1MMP2MMP9MMP8
SCHEMBL6824926 0.80 CA12 (0.54) CA12CA1MMP2MMP9MMP8
SCHEMBL515914 0.80 CA12 (0.54) CA12CA1MMP2MMP9MMP8
SCHEMBL8373371 0.80 CA12 (0.54) CA12CA1MMP2MMP9MMP8
SCHEMBL515915 0.80 CA12 (0.54) CA12CA1MMP2MMP9MMP8
SCHEMBL6267800 0.79 CA12 (0.63) CA12CA1MMP2ALDH1A1MEN1
Water SCHEMBL4754935 0.79 CA12 (0.53) CA12CA1MMP2MMP9MMP8
Hydrochloric Acid SCHEMBL4754929 0.79 CA12 (0.53) CA12CA1MMP2MMP9MMP8
Water SCHEMBL4754936 0.79 CA12 (0.53) CA12CA1MMP2MMP9MMP8

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-110746370-B Preparation method of 4- (4-aminophenyl) morpholine-3-one 新发药业有限公司 2021-05-18 CN disclosed
CN-109384738-B Preparation method of 4- (4-aminophenyl) morpholine-3-one 新发药业有限公司 2020-10-02 CN disclosed
CN-109651286-B High-selectivity synthesis method of 4- (4-aminophenyl) morpholine-3-one 新发药业有限公司 2020-08-11 CN disclosed
CN-110746370-A Preparation method of 4- (4-aminophenyl) morpholine-3-one 新发药业有限公司 2020-02-04 CN disclosed