SCHEMBL28055440

SCHEMBL28055440

O=[N+]([O-])C[C@H](O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.51
TSHR P16473 2/20 0.51
ALDH1A1 P00352 4/20 0.50
GPR35 Q9HC97 1/20 0.42
HSD17B10 Q99714 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KCNH2 Q12809 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
CTSD P07339 1/20 0.41
NPC1 O15118 1/20 0.41
RECQL P46063 1/20 0.41
RAB9A P51151 1/20 0.41
CPA1 P15085 3/20 0.40
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL20476750 1.00 CYP1A2 (0.51) CYP1A2TSHRALDH1A1GPR35HSD17B10
SCHEMBL267829 0.87 CYP1A2 (0.53) CYP1A2TSHRALDH1A1GPR35HSD17B10
SCHEMBL31145677 0.87 CYP1A2 (0.53) CYP1A2TSHRALDH1A1GPR35HSD17B10
SCHEMBL11461676 0.85 CYP1A2 (0.54) CYP1A2TSHRALDH1A1GPR35HSD17B10
SCHEMBL30331074 0.85 CYP1A2 (0.54) CYP1A2TSHRALDH1A1GPR35HSD17B10
SCHEMBL14599491 0.84 CYP1A2 (0.53) CYP1A2TSHRALDH1A1GPR35HSD17B10
SCHEMBL12232402 0.84 CYP1A2 (0.53) CYP1A2TSHRALDH1A1GPR35HSD17B10
SCHEMBL7153686 0.84 CYP1A2 (0.53) CYP1A2TSHRALDH1A1GPR35HSD17B10
SCHEMBL6259348 0.82 ALDH1A1 (0.53) CYP1A2TSHRALDH1A1GPR35HSD17B10
SCHEMBL7528679 0.82 CYP1A2 (0.51) CYP1A2TSHRALDH1A1GPR35HSD17B10

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