SCHEMBL11229255

SCHEMBL11229255

COc1cc(C=C[N+](=O)[O-])cc([N+](=O)[O-])c1O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JUN P05412 1/20 0.63
EGFR P00533 3/20 0.61
MAPT P10636 5/20 0.61
VCP P55072 3/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
ALDH1A1 P00352 2/20 0.61
LMNA P02545 2/20 0.61
HTT P42858 2/20 0.61
GALR2 O43603 1/20 0.61
MAPK1 P28482 1/20 0.61
SYK P43405 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
POLB P06746 3/20 0.60
TDP1 Q9NUW8 1/20 0.60
GFER P55789 1/20 0.58
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
GAA P10253 3/20 0.54
PIM1 P11309 1/20 0.53
TUBB4A P04350 1/20 0.51

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
SCHEMBL11229392 0.89 VCP (0.69) JUNEGFRMAPTVCPSMN1; SMN2
SCHEMBL3198139 0.84 JUN (0.81) JUNEGFRMAPTSMN1; SMN2LMNA
SCHEMBL3198145 0.84 JUN (0.81) JUNEGFRMAPTSMN1; SMN2LMNA
SCHEMBL4499495 0.84 JUN (0.62) JUNEGFRMAPTSMN1; SMN2ALDH1A1
SCHEMBL4499494 0.84 JUN (0.62) JUNEGFRMAPTSMN1; SMN2ALDH1A1
SCHEMBL344482 0.83 EGFR (0.66) JUNEGFRMAPTSMN1; SMN2ALDH1A1
SCHEMBL374530 0.83 EGFR (0.66) JUNEGFRMAPTSMN1; SMN2ALDH1A1
SCHEMBL29672623 0.83 EGFR (0.66) JUNEGFRMAPTSMN1; SMN2ALDH1A1
SCHEMBL17693076 0.83 JUN (0.71) JUNEGFRMAPTSMN1; SMN2ALDH1A1
SCHEMBL6035433 0.83 JUN (0.75) JUNEGFRMAPTSMN1; SMN2ALDH1A1

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-4318986-A Enzyme assays NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1982-03-09 US disclosed
EP-0007372-A1 Methods and reagents for the assay of enzymes NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1980-02-06 EP disclosed
WO-1979000255-A1 ENZYME ASSAYS NAT RES DEV (GB) 1979-05-17 WO disclosed