SCHEMBL9587331

SCHEMBL9587331

COC(=O)c1ccccc1S(=O)(=O)NC(=NN=C(C)C)Nc1nc(OC)nc(OC)n1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
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
SLC40A1 Q9NP59 1/20 0.41
MAPT P10636 3/20 0.39
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
PTPN5 P54829 1/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
BRD4 O60885 1/20 0.38
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 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
SCHEMBL9479411 0.87 KMT2A (0.43) KMT2AMEN1NPC1GAACA1
SCHEMBL7023958 0.84 NPC1 (0.50) KMT2AMEN1NPC1GAACA1
SCHEMBL11202823 0.82 CA1 (0.46) KMT2AMEN1NPC1GAACA1
SCHEMBL9683301 0.82 CA1 (0.40) KMT2AMEN1NPC1GAACA1
SCHEMBL9737308 0.82 SLC22A12 (0.42) KMT2AMEN1GAASLC40A1MAPT
SCHEMBL9683305 0.82 KMT2A (0.40) KMT2AMEN1NPC1GAACA1
SCHEMBL9684036 0.81 NPC1 (0.40) KMT2AMEN1NPC1GAACA1
SCHEMBL9682940 0.81 MEN1 (0.38) KMT2AMEN1NPC1GAACA1
SCHEMBL9737078 0.81 ALPL (0.40) SLC40A1MAPTBRD4
Metsulfuron-Methyl SCHEMBL7576469 0.80 NPC1 (0.46) KMT2AMEN1NPC1GAACA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3133965-A None JP disclosed
US-5213608-A Sulfonylguanidines BAYER AKTIENGESELLSCHAFT (DE) 1993-05-25 US disclosed
US-5167692-A Pre- and postemergence BAYER AKTIENGESELLSCHAFT (DE) 1992-12-01 US disclosed
EP-0431270-A1 Substituted sulfonylamidinohydrazones BAYER AG (DE) 1991-06-12 EP disclosed
JP-H03133965-A HERBICIDAL SUBSTITUTED SULFONYLAMIDINOHYDRAZONES BAYER AG 1991-06-07 JP disclosed