SCHEMBL11240482

SCHEMBL11240482

CN(C)c1nc(=O)n(CC2CCCCC2)c(=O)[nH]1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTOR P42345 14/20 0.40
ABCC1 P33527 1/20 0.40
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
JAK3 P52333 1/20 0.39
PIK3CA P42336 2/20 0.39
GSK3A P49840 1/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TPH1 P17752 1/20 0.37
TPH2 Q8IWU9 1/20 0.37
POLB P06746 1/20 0.37
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36

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
SCHEMBL11850073 0.77 MTOR (0.40) MTORJAK2JAK1JAK3PIK3CA
SCHEMBL11479633 0.75 MAT2A (0.41) MTORMEN1KMT2APOLBALDH1A1
SCHEMBL11851618 0.75 TSHR (0.44) MEN1KMT2APOLBALDH1A1SMN1; SMN2
SCHEMBL11846857 0.75 TSHR (0.44) MEN1KMT2APOLBALDH1A1SMN1; SMN2
SCHEMBL11848829 0.71 ABCC1 (0.40) ABCC1POLBALDH1A1
SCHEMBL11847580 0.70 PDE5A (0.38) ABCC1POLBALDH1A1
SCHEMBL11851637 0.70 HCAR1 (0.41) JAK2JAK1JAK3MEN1KMT2A
SCHEMBL11016276 0.69 PDE5A (0.54) MTORMEN1KMT2AALDH1A1CYP3A4
SCHEMBL11849926 0.69 MAPK1 (0.41) MEN1KMT2APOLBALDH1A1SMN1; SMN2
SCHEMBL10977785 0.67 ADORA2A (0.52) MTORPIK3CAGSK3AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0061913-A2 Herbicidal heterooxybenzenes E.I. DU PONT DE NEMOURS AND COMPANY (US) 1982-10-06 EP disclosed
EP-0048143-A1 Herbicidal sulfonamides E.I. DU PONT DE NEMOURS AND COMPANY (US) 1982-03-24 EP disclosed
EP-0045196-A2 Herbicidal benzothiophene and benzofuran sulfonamides E.I. DU PONT DE NEMOURS AND COMPANY (US) 1982-02-03 EP disclosed
US-3983116-A Herbicidal triazines E. I. DU PONT DE NEMOURS AND COMPANY (US) 1976-09-28 US disclosed