SCHEMBL7914657

SCHEMBL7914657

NS(=O)(=O)c1c(C2=NOCCO2)cnn1-c1ccccn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.36
CA1 P00915 5/20 0.36
CA2 P00918 5/20 0.36
CA9 Q16790 5/20 0.36
OXTR P30559 4/20 0.33
AVPR1A P37288 2/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
CYP17A1 P05093 2/20 0.32
HSD11B1 P28845 2/20 0.32
OGA O60502 1/20 0.32
MAPT P10636 2/20 0.31
MAPK1 P28482 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
PKM P14618 1/20 0.31

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
SCHEMBL7901243 0.84 HIF1A (0.38) CA12CA1CA2CA9NPC1
SCHEMBL3263075 0.81 CA12 (0.34) CA12CA1CA2CA9OXTR
SCHEMBL8632281 0.74 GAA (0.33)
SCHEMBL3776593 0.71 CA1 (0.33) CA12CA1CA2CA9MAPK1
SCHEMBL10521431 0.69 NPC1 (0.48) CA12CA1CA2CA9NPC1
SCHEMBL7901217 0.69 CA1 (0.38) CA12CA1CA2CA9CA4
SCHEMBL29469898 0.69 CA1 (0.38) CA12CA1CA2CA9CA4
SCHEMBL3782693 0.66 CA12 (0.43) CA12CA1CA2CA9CA14
SCHEMBL8436667 0.65 NPC1 (0.53) CA1CA2CA9NPC1TP53
SCHEMBL8633929 0.63 ALOX5AP (0.36) CA12CA1CA2CA9PKM

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
CN-1234034-A 5,6-dihydro-[1,4,2]-dioxazin-subsd. (hetero) aryl-(oxy-, imino-, alkyl)-sulphonylamino (thio) carbonyl-heterocyclyl derivatives, their prepn. and use as herbicides BAYER AG (DE) 1999-11-03 CN claimed
US-6200931-B1 FOR CONTROLLING WEEDS BAYER AKTIENGESELLSCHAFT (DE) 2001-03-13 US disclosed
CN-1234034-A 5,6-dihydro-[1,4,2]-dioxazin-subsd. (hetero) aryl-(oxy-, imino-, alkyl)-sulphonylamino (thio) carbonyl-heterocyclyl derivatives, their prepn. and use as herbicides BAYER AG (DE) 1999-11-03 CN disclosed