SCHEMBL3345757

SCHEMBL3345757

CC(C)(C)OC(=O)CNc1nccc(OCc2ccccc2)c1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPIA P62937 5/20 0.44
PPIF P30405 1/20 0.44
CYP19A1 P11511 3/20 0.41
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
MAPT P10636 1/20 0.39
CYP11B1 P15538 2/20 0.37
CYP11B2 P19099 2/20 0.37
HTT P42858 1/20 0.37
MGMT P16455 1/20 0.37

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
SCHEMBL13424800 0.89 NPC1 (0.42) PPIAPPIFCYP19A1KMT2AMAPT
SCHEMBL3345989 0.86 PPIA (0.49) PPIAPPIFCYP19A1KMT2AMEN1
SCHEMBL3352619 0.83 PPIA (0.41) PPIAMAPT
SCHEMBL15156975 0.74 LMNA (0.60) KMT2AMEN1MAPTHTT
SCHEMBL7965575 0.72 PPIA (0.50) PPIAPPIFCYP19A1KMT2AMEN1
SCHEMBL13424801 0.72 NPC1 (0.43) MAPTHTT
SCHEMBL13424802 0.72 KDM4E (0.40) KMT2AMAPTHTT
SCHEMBL3345345 0.70 CYP19A1 (0.48) PPIAPPIFCYP19A1KMT2AMEN1
SCHEMBL5036374 0.70 MGMT (0.58) CYP19A1KMT2AMEN1MAPTCYP11B1
SCHEMBL18396641 0.70 PIN1 (0.51) PPIAPPIFCYP19A1KMT2AMEN1

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
WO-2010046388-A1 SUBSTITUTED (AZA) -1-METHYL-1H-QUINOLIN-2-ONES AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2010-04-29 WO disclosed