SCHEMBL47339

SCHEMBL47339

NCNC(=O)N1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.46
HTT P42858 2/20 0.45
ALDH1A1 P00352 4/20 0.43
EPHX2 P34913 1/20 0.42
LMNA P02545 1/20 0.40
HSD11B1 P28845 1/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
GAA P10253 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
SCHEMBL47336 0.98 KMT2A (0.48) KMT2AHTTALDH1A1EPHX2LMNA
SCHEMBL14282244 0.81 KMT2A (0.50) KMT2AHTTALDH1A1EPHX2HSD11B1
SCHEMBL14941550 0.79 KMT2A (0.48) KMT2AHTTALDH1A1EPHX2HSD11B1
SCHEMBL47346 0.78 HTT (0.66) KMT2AHTTSMN1; SMN2GAA
SCHEMBL14037284 0.78 TPSAB1 (0.60) HTTEPHX2LMNA
SCHEMBL5524889 0.77 KMT2A (0.46) KMT2AHTTALDH1A1EPHX2HSD11B1
SCHEMBL966438 0.77 KMT2A (0.78) KMT2AHTTALDH1A1LMNANPC1
SCHEMBL17273858 0.77 KMT2A (0.78) KMT2AHTTALDH1A1LMNANPC1
SCHEMBL22559960 0.77 KMT2A (0.46) KMT2AHTTALDH1A1EPHX2HSD11B1
SCHEMBL4803949 0.77 KMT2A (0.78) KMT2AHTTALDH1A1LMNANPC1

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