SCHEMBL5880644

SCHEMBL5880644

Nc1ccccc1N(N=O)N=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.41
ALOX15 P16050 3/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GAA P10253 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
ALDH1A1 P00352 5/20 0.36
TSHR P16473 4/20 0.36
HSD17B10 Q99714 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
HPGD P15428 2/20 0.36
CHEK1 O14757 1/20 0.34
NEK2 P51955 1/20 0.34
LIMK1 P53667 1/20 0.34
DYRK1A Q13627 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
CA12 O43570 1/20 0.33

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
SCHEMBL2303841 0.71 ALDH1A1 (0.45) ALOX15CASP1SMN1; SMN2GAAL3MBTL1
SCHEMBL7721860 0.71 TSHR (0.41) CYP3A4ALOX15SMN1; SMN2NPC1RAB9A
SCHEMBL11238026 0.71 CYP3A4 (0.53) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL1774407 0.69 CYP3A4 (0.50) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL5146946 0.69 CYP3A4 (0.50) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL16838887 0.68 CHEK1 (0.45) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL15268120 0.67 CHEK1 (0.48) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL241305 0.67 CYP3A4 (0.47) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL7517260 0.67 CYP3A4 (0.47) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL7550030 0.67 CYP3A4 (0.47) CYP3A4ALOX15CASP1CASP7SMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5194614-A None JP disclosed
US-7029556-B1 Method for purifying (meth)acrylic monomers by distillation ARKEMA (FR) 2006-04-18 US disclosed
JP-H05194614-A COMPOSITION FOR INHIBITING ADDITION POLYMERIZATION OF ACRYLIC ACID AND ESTER THEREOF UNIROYAL CHEM CO INC 1993-08-03 JP disclosed