SCHEMBL11100722

SCHEMBL11100722

CN1CCCC1C(=O)ON

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
POLB P06746 1/20 0.34
CHRNB2 P17787 4/20 0.33
CHRNA4 P43681 4/20 0.33
CHRNA7 P36544 3/20 0.33
CHRNA5 P30532 2/20 0.33
L3MBTL3 Q96JM7 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
RAB9A P51151 1/20 0.33
ACE P12821 1/20 0.32

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
SCHEMBL3568144 0.82 POLB (0.49) CYP3A4CYP2D6POLBSMN1; SMN2
SCHEMBL2651732 0.82 POLB (0.49) CYP3A4CYP2D6POLBSMN1; SMN2
SCHEMBL6256971 0.82 CYP3A4 (0.41) CYP3A4CYP2D6POLBCHRNB2CHRNA4
SCHEMBL2275226 0.82 POLB (0.49) CYP3A4CYP2D6POLBSMN1; SMN2
SCHEMBL27363236 0.81 CYP3A4 (0.46) CYP3A4CYP2D6POLBL3MBTL3ACE
SCHEMBL21211585 0.80 CYP3A4 (0.41) CYP3A4CYP2D6POLBCHRNB2CHRNA4
SCHEMBL14645015 0.79 CYP3A4 (0.38) CYP3A4CYP2D6CHRNB2CHRNA4CHRNA7
SCHEMBL489179 0.78 POLB (0.32) POLBALDH1A1SMN1; SMN2RAB9A
SCHEMBL24569258 0.77 CYP3A4 (0.39) CYP3A4CYP2D6POLBCHRNB2CHRNA4
SCHEMBL11490823 0.77 FKBP1A (0.49) CYP3A4CYP2D6POLBALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0044696-B1 5-OXO-2,5,-DIHYDRO-1,2,4-TRIAZINES, METHODS FOR THEIR PRODUCTION, HERBICIDAL COMPOSITIONS COMPRISING THEM, AND THEIR USE AS HERBICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-10-17 EP disclosed
US-4451283-A HERBICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-05-29 US disclosed