SCHEMBL7685072

SCHEMBL7685072

CC(=NO)c1nn(C)c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.51
ALDH1A1 P00352 2/20 0.46
LMNA P02545 2/20 0.46
MAPT P10636 2/20 0.46
NPC1 O15118 1/20 0.46
HPGD P15428 1/20 0.46
RAB9A P51151 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HTR3A P46098 3/20 0.41
HTR3E A5X5Y0 2/20 0.41
HTR3B O95264 2/20 0.41
HTR3D Q70Z44 2/20 0.41
HTR3C Q8WXA8 2/20 0.41
SLC22A2 O15244 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNA3 P32297 1/20 0.41

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
SCHEMBL7685070 1.00 KDM4E (0.51) KDM4EALDH1A1LMNAMAPTNPC1
SCHEMBL16255877 1.00 KDM4E (0.51) KDM4EALDH1A1LMNAMAPTNPC1
SCHEMBL7297926 0.79 KDM4E (0.62) KDM4EALDH1A1CYP3A4TSHRMAPK1
SCHEMBL30467838 0.79 KDM4E (0.62) KDM4EALDH1A1CYP3A4TSHRMAPK1
SCHEMBL7682424 0.78 KDM4E (0.39) KDM4EALDH1A1LMNAMAPTNPC1
SCHEMBL7682428 0.78 KDM4E (0.39) KDM4EALDH1A1LMNAMAPTNPC1
SCHEMBL30251861 0.75 KDM4E (0.62) KDM4EALDH1A1NPSR1CYP3A4TSHR
SCHEMBL496589 0.75 KDM4E (0.62) KDM4EALDH1A1NPSR1CYP3A4TSHR
SCHEMBL19150070 0.75 KDM4E (0.54) KDM4EALDH1A1CYP3A4TSHRMAPK1
SCHEMBL28478339 0.74 KDM4E (0.43) KDM4EALDH1A1LMNAMAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6462039-B1 SUCH AS O-(2-((5,6-DIHYDRO-(1,4,2)DIOXAZIN-3-YL)-METHOXY-IMINOMETHYL)-BENZYL)1-(1 -METHYL-1H-INDAZOL-3-YL)ETHANONEOXIME; WELL TOLERATED BY PLANTS; CONTROLLING PLANT DISEASES BY TREATMENT OF AERIAL PARTS, SEEDS OR SOIL BAYER AKTIENGESELLSCHAFT (DE) 2002-10-08 US disclosed