SCHEMBL28055451

SCHEMBL28055451

N#Cc1ccc(C(O)C[N+](=O)[O-])cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.62
FBP1 P09467 4/20 0.41
F2R P25116 1/20 0.39
CA2 P00918 3/20 0.39
CA1 P00915 2/20 0.39
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
VCAM1 P19320 3/20 0.37
LSS P48449 1/20 0.36
CA12 O43570 1/20 0.36
CA3 P07451 1/20 0.36
CA6 P23280 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
KCNJ1 P48048 1/20 0.36
KCNH2 Q12809 1/20 0.36
GSK3B P49841 2/20 0.36
CYP19A1 P11511 1/20 0.36

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
SCHEMBL28055450 1.00 ALDH1A1 (0.62) ALDH1A1FBP1F2RCA2CA1
SCHEMBL5202212 0.81 ALDH1A1 (0.47) ALDH1A1FBP1L3MBTL1VCAM1KCNJ1
SCHEMBL27807831 0.78 ALDH1A1 (0.70) ALDH1A1FBP1KDM4EMAPTNPC1
SCHEMBL27807830 0.78 ALDH1A1 (0.70) ALDH1A1FBP1KDM4EMAPTNPC1
SCHEMBL2461328 0.77 ALDH1A1 (0.68) ALDH1A1KDM4EGAAMAPTNPC1
SCHEMBL531072 0.77 ALDH1A1 (0.68) ALDH1A1KDM4EGAAMAPTNPC1
SCHEMBL6782597 0.77 ALDH1A1 (0.68) ALDH1A1KDM4EMAPTL3MBTL1NPC1
SCHEMBL4242515 0.77 ALDH1A1 (1.00) ALDH1A1CA2CA1KDM4EMAPT
SCHEMBL28826475 0.77 ALDH1A1 (1.00) ALDH1A1CA2CA1KDM4EMAPT
SCHEMBL2461281 0.77 ALDH1A1 (0.68) ALDH1A1KDM4EGAAMAPTNPC1

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-105481715-A Camphor Schiff base, and preparation method and application thereof UNIV SHAANXI NORMAL 2016-04-13 CN disclosed