SCHEMBL7963131

SCHEMBL7963131

CN1N=C(c2ccc([N+](=O)[O-])cc2)COC1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.45
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
MAPK1 P28482 1/20 0.45
GAA P10253 2/20 0.43
L3MBTL1 Q9Y468 3/20 0.42
NPSR1 Q6W5P4 1/20 0.42
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PKM P14618 4/20 0.40
ALDH1A1 P00352 3/20 0.40
GFER P55789 1/20 0.40
TERT O14746 3/20 0.39
POLB P06746 1/20 0.39
HTR1E P28566 1/20 0.39
ATM Q13315 1/20 0.39
S1PR3 Q99500 1/20 0.39
TLR9 Q9NR96 1/20 0.39
NOTUM Q6P988 1/20 0.38

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
SCHEMBL260488 0.75 MAPT (0.49) MAPTMEN1KMT2AMAPK1GAA
SCHEMBL4321214 0.74 MAPT (0.57) MAPTMEN1KMT2AMAPK1GAA
SCHEMBL7979367 0.71 PDE3B (0.51) MAPTMEN1KMT2AMAPK1GAA
SCHEMBL11846284 0.66 MBD2 (0.41) MAPTMEN1KMT2AGAAPKM
SCHEMBL4321210 0.65 GAA (0.49) MAPTMEN1KMT2AMAPK1GAA
SCHEMBL3450422 0.64 CYP19A1 (0.47) MAPTLMNAPKMALDH1A1NOTUM
SCHEMBL31714699 0.64 CASP1 (0.49) MAPTMEN1KMT2AGAAL3MBTL1
SCHEMBL3832637 0.64 CASP6 (0.52) MEN1KMT2AGAAL3MBTL1LMNA
SCHEMBL9668896 0.64 APOBEC3G (0.56) MAPTMEN1KMT2ANPSR1LMNA
SCHEMBL28198 0.63 CA1 (0.67) MAPTMAPK1GAALMNAALDH1A1

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-2001000601-A1 NOVEL 4-(2-OXODIHYDROOXADIAZINYLPHENYL)AMIDES AND THE USE THEREOF FOR TREATING ANEMIA BAYER AKTIENGESELLSCHAFT (DE) 2001-01-04 WO disclosed