Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL29558993

CN(C)c1ccc([N+](=O)[O-])cc1.N

nearest known ligand 0.75

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.75
L3MBTL1 Q9Y468 2/20 0.75
MAPK1 P28482 2/20 0.75
TSHR P16473 2/20 0.75
CYP1A2 P05177 1/20 0.75
CYP3A4 P08684 1/20 0.75
PHLPP2 Q6ZVD8 1/20 0.75
TDP1 Q9NUW8 1/20 0.75
POLB P06746 1/20 0.55
ALDH1A1 P00352 6/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
CRHBP P24387 2/20 0.55
CRHR2 Q13324 2/20 0.55
ATM Q13315 1/20 0.55
TLR9 Q9NR96 1/20 0.55
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
HSD17B10 Q99714 3/20 0.54
ACHE P22303 1/20 0.54

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
SCHEMBL218018 0.98 MAPT (0.78) MAPTL3MBTL1MAPK1TSHRCYP1A2
Hydrogen Sulfide SCHEMBL28326954 0.95 MAPT (0.75) MAPTL3MBTL1MAPK1TSHRCYP1A2
Phosphine SCHEMBL30201038 0.95 MAPT (0.75) MAPTL3MBTL1MAPK1TSHRCYP1A2
Iodide SCHEMBL10484653 0.93 MAPT (0.72) MAPTL3MBTL1MAPK1TSHRCYP1A2
SCHEMBL28140093 0.91 MAPT (0.70) MAPTL3MBTL1MAPK1TSHRCYP1A2
SCHEMBL5528929 0.91 MAPT (0.70) MAPTL3MBTL1MAPK1TSHRCYP1A2
SCHEMBL9948773 0.91 MAPT (0.70) MAPTL3MBTL1MAPK1TSHRCYP1A2
SCHEMBL28684490 0.88 MAPT (0.66) MAPTL3MBTL1MAPK1TSHRCYP1A2
4-Nitroaniline SCHEMBL7158129 0.88 ALDH1A1 (0.69) MAPTL3MBTL1MAPK1TSHRCYP1A2
Acetonitrile SCHEMBL8872742 0.88 MAPT (0.66) MAPTL3MBTL1MAPK1TSHRCYP1A2

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-114555543-A Method and apparatus for preparing poly-alpha-olefin 埃克森美孚化学专利公司 2022-05-27 CN disclosed