SCHEMBL11512419

SCHEMBL11512419

CCOC(=O)C(=NO)C(C)=NNc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 2/20 0.62
GAA P10253 7/20 0.56
LMNA P02545 4/20 0.56
ALDH1A1 P00352 3/20 0.55
NPSR1 Q6W5P4 2/20 0.55
HPGD P15428 1/20 0.55
ATM Q13315 1/20 0.55
MAPT P10636 9/20 0.55
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
RECQL P46063 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.48
TDP1 Q9NUW8 2/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
KYAT1 Q16773 1/20 0.45
KDR P35968 1/20 0.44
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL10141247 0.87 GAA (0.63) GFERGAALMNAALDH1A1NPSR1
SCHEMBL11753054 0.87 GAA (0.63) GFERGAALMNAALDH1A1NPSR1
SCHEMBL11511864 0.86 GAA (0.54) GFERGAALMNAALDH1A1NPSR1
SCHEMBL6786789 0.84 GAA (0.60) GAALMNAALDH1A1NPSR1HPGD
SCHEMBL6786787 0.84 GAA (0.60) GAALMNAALDH1A1NPSR1HPGD
SCHEMBL14668519 0.84 GAA (0.60) GAALMNAALDH1A1NPSR1HPGD
SCHEMBL28351437 0.80 GAA (0.59) GAALMNAALDH1A1NPSR1HPGD
SCHEMBL23348046 0.79 GAA (0.58) GAALMNAALDH1A1NPSR1HPGD
SCHEMBL393794 0.79 GAA (0.58) GAALMNAALDH1A1NPSR1HPGD
SCHEMBL9324665 0.78 ALDH1A1 (0.56) GAALMNAALDH1A1MAPTMEN1

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
US-4161591-A SUBSTITUTED 2-(CARBAMOYL)OXYIMINO-3-IMINO-BUTYRAMIDES AND -BUTYRATES, APHIDICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1979-07-17 US disclosed
US-4151296-A APHIDICIDES, SYSTEMIC AND FOLIAR E. I. DU PONT DE NEMOURS AND COMPANY (US) 1979-04-24 US disclosed
US-4059623-A APHIDICIDE E. I. DU PONT DE NEMOURS AND COMPANY (US) 1977-11-22 US disclosed