SCHEMBL9684536

SCHEMBL9684536

COC(=O)c1ccccc1S(=O)(=O)NN=C(Nc1nc(C)cc(C)n1)NS(=O)(=O)c1ccccc1C(=O)OC

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.42
GAA P10253 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA5A P35218 1/20 0.42
CA9 Q16790 1/20 0.42
KDM4E B2RXH2 2/20 0.42
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
SLC40A1 Q9NP59 1/20 0.41
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41
PTPN5 P54829 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
BRD4 O60885 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL9834922 0.89 CA1 (0.47) NPC1GAACA1CA2CA5A
SCHEMBL10501861 0.89 NPC1 (0.46) NPC1GAACA1CA2CA5A
SCHEMBL11131057 0.89 CA1 (0.44) NPC1GAACA1CA2CA5A
SCHEMBL9834934 0.89 CA1 (0.47) NPC1GAACA1CA2CA5A
SCHEMBL10568557 0.88 CA1 (0.43) NPC1GAACA1CA2CA5A
SCHEMBL9479411 0.87 KMT2A (0.43) NPC1GAACA1CA2CA5A
SCHEMBL9683305 0.86 KMT2A (0.40) NPC1GAACA1CA2CA5A
Sulfometuron Methyl SCHEMBL9137833 0.84 GAA (0.50) NPC1GAACA1CA2CA5A
Sulfometuron Methyl SCHEMBL54998 0.84 GAA (0.50) NPC1GAACA1CA2CA5A
Sulfometuron Methyl SCHEMBL27545620 0.84 GAA (0.50) NPC1GAACA1CA2CA5A

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
EP-0499096-A1 Substituted arylsulfonylaminoguanidinotriazines BAYER AG (DE) 1992-08-19 EP disclosed
US-5125960-A Pre- and postemergence BAYER AKTIENGESELLSCHAFT (DE) 1992-06-30 US disclosed
EP-0414067-A2 Substituted arylsulfonyl-aminoguanidinoazine BAYER AG (DE) 1991-02-27 EP disclosed