SCHEMBL28213828

SCHEMBL28213828

CC(OSOC(C)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
MAPK1 P28482 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
PHLPP2 Q6ZVD8 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HSD17B10 Q99714 2/20 0.45
ACHE P22303 1/20 0.45
ALDH1A1 P00352 5/20 0.45
KDM4E B2RXH2 2/20 0.45
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
RECQL P46063 1/20 0.41
GAA P10253 4/20 0.41
NPC1 O15118 1/20 0.41

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
SCHEMBL14556308 0.82 MAPT (0.50) MAPTL3MBTL1MAPK1CYP1A2CYP3A4
SCHEMBL4915335 0.81 MAPT (0.53) MAPTL3MBTL1MAPK1CYP1A2CYP3A4
SCHEMBL11787514 0.79 ALDH1A1 (0.50) MAPTL3MBTL1MAPK1CYP1A2CYP3A4
SCHEMBL14626606 0.79 MAPT (0.47) MAPTL3MBTL1MAPK1CYP1A2CYP3A4
SCHEMBL17106594 0.76 MAPT (0.45) MAPTL3MBTL1MAPK1CYP1A2CYP3A4
SCHEMBL7758231 0.76 MAPT (0.45) MAPTL3MBTL1MAPK1CYP1A2CYP3A4
SCHEMBL2027813 0.76 MAPT (0.45) MAPTL3MBTL1MAPK1CYP1A2CYP3A4
SCHEMBL735218 0.76 MAPT (0.45) MAPTL3MBTL1MAPK1CYP1A2CYP3A4
SCHEMBL11592383 0.76 NPC1 (0.50) MAPTL3MBTL1MAPK1CYP1A2CYP3A4
SCHEMBL17789917 0.76 HSD17B10 (0.48) MAPTL3MBTL1MAPK1CYP1A2CYP3A4

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-108003073-A preparation method of amino phenyl- β -hydroxyethyl sulfone and p-aminophenyl- β -hydroxyethyl sulfone sulfonate 广东众和化塑有限公司 2018-05-08 CN disclosed