SCHEMBL47346

SCHEMBL47346

NCNC(=O)N1CCOCC1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.66
SMN1; SMN2 Q16637 4/20 0.48
PKM P14618 1/20 0.48
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
NOS3 P29474 1/20 0.46
NOS1 P29475 1/20 0.46
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA9 Q16790 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL7442633 0.84 HTT (0.62) HTTSMN1; SMN2PKMKMT2AMEN1
Hydrochloric Acid SCHEMBL10599246 0.82 HTT (0.60) HTTSMN1; SMN2PKMKMT2AMEN1
SCHEMBL27570688 0.81 HTT (0.68) HTTSMN1; SMN2PKMKMT2AMEN1
SCHEMBL47336 0.80 KMT2A (0.48) HTTKMT2A
Oxalic Acid SCHEMBL28342918 0.80 HTT (0.57) HTTSMN1; SMN2PKMKMT2AMEN1
SCHEMBL968488 0.79 HTT (1.00) HTTSMN1; SMN2PKMKMT2AMEN1
SCHEMBL1233491 0.79 HTT (0.66) HTTSMN1; SMN2PKMKMT2AMEN1
SCHEMBL47339 0.78 KMT2A (0.46) HTTSMN1; SMN2KMT2AGAA
Sulfuric Acid SCHEMBL7429284 0.78 HTT (0.55) HTTSMN1; SMN2PKMKMT2AMEN1
SCHEMBL1446597 0.78 HTT (0.64) HTTSMN1; SMN2PKMKMT2AMEN1

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
WO-2011157748-A1 5-ARYL ISOXAZOLINES FOR CONTROLLING PESTS NOVARTIS AG (CH) 2011-12-22 WO disclosed