SCHEMBL27555342

SCHEMBL27555342

CC1(C)CC(=NO)C(C)(C)N1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL4877698 0.75 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2MEN1MAPK1KMT2A
SCHEMBL21412215 0.70 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2
SCHEMBL21412218 0.70 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2
SCHEMBL4278112 0.66 ALDH1A1 (0.67) ALDH1A1L3MBTL1
SCHEMBL11151929 0.64 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2MEN1MAPK1KMT2A
SCHEMBL11050358 0.62 ALDH1A1 (0.42) ALDH1A1L3MBTL1
SCHEMBL11050362 0.62 ALDH1A1 (0.42) ALDH1A1L3MBTL1
SCHEMBL2019492 0.62 SMN1; SMN2 (0.46) ALDH1A1SMN1; SMN2MEN1MAPK1KMT2A
SCHEMBL1814857 0.60 ALDH1A1 (0.37) ALDH1A1KMT2AL3MBTL1
SCHEMBL11470284 0.60 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2MEN1MAPK1KMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100413820-C Nitroaromatic solubilizer for nitroxyls in aromatic solvents UNIROYAL CHEM CO INC (US) 2008-08-27 CN disclosed
CN-101102984-A Aromatic sulfonic acids, amines, and nitrophenols in combination with nitroxyl radical-containing compounds or C-nitrsoanilines as polymerization inhibitors CHEMTURA CORP (US) 2008-01-09 CN disclosed
CN-1213030-C Inhibition of polymerization of unsaturated monomers CROMPTON CORP (US) 2005-08-03 CN disclosed
CN-1427809-A Nitroaromatic solubilizers for nitroxyl compounds in aromatic solvents UNIROYAL CHEM CO INC (US) 2003-07-02 CN disclosed
CN-1413194-A Inhibition of polymerization of unsaturated monomers CROMPTON CORP (US) 2003-04-23 CN disclosed