SCHEMBL28055460

SCHEMBL28055460

O=[N+]([O-])C[C@H](O)c1cccc(Br)c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.51
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
HPGD P15428 1/20 0.40
LMNA P02545 1/20 0.40
SLC18A3 Q16572 3/20 0.39
SIGMAR1 Q99720 3/20 0.39
IDO1 P14902 2/20 0.38
NPC1 O15118 1/20 0.37
ADAM17 P78536 1/20 0.37
ALOX5 P09917 1/20 0.36
TDO2 P48775 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
SCHEMBL24012849 1.00 ALDH1A1 (0.51) ALDH1A1MEN1KMT2AL3MBTL1HPGD
SCHEMBL23549438 0.82 ALDH1A1 (0.53) ALDH1A1MEN1KMT2ALMNANPC1
SCHEMBL3235781 0.81 ALDH1A1 (0.53) ALDH1A1MEN1KMT2AL3MBTL1HPGD
SCHEMBL28055433 0.80 ALDH1A1 (0.51) ALDH1A1MEN1KMT2AL3MBTL1HPGD
SCHEMBL4851931 0.80 ALDH1A1 (0.51) ALDH1A1MEN1KMT2AL3MBTL1HPGD
SCHEMBL28055444 0.80 ALDH1A1 (0.51) ALDH1A1MEN1KMT2AL3MBTL1HPGD
SCHEMBL528891 0.80 ALDH1A1 (0.51) ALDH1A1MEN1KMT2AL3MBTL1HPGD
SCHEMBL23549441 0.80 ALDH1A1 (0.65) ALDH1A1MEN1KMT2AL3MBTL1HPGD
SCHEMBL28055389 0.80 ALDH1A1 (0.65) ALDH1A1MEN1KMT2AL3MBTL1HPGD
SCHEMBL2461328 0.79 ALDH1A1 (0.68) ALDH1A1MEN1KMT2AHPGDLMNA

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