SCHEMBL8631312

SCHEMBL8631312

O=C(O)Nc1ccccc1S(=O)(=O)c1ccsc1C1=NOCCO1

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.32
CA9 Q16790 3/20 0.32
CA1 P00915 3/20 0.32
CA12 O43570 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
EDNRA P25101 4/20 0.31
EDNRB P24530 2/20 0.31
CA4 P22748 1/20 0.31
HTR6 P50406 1/20 0.31
MEN1 O00255 1/20 0.30
CYP3A4 P08684 1/20 0.30
KMT2A Q03164 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL8630714 0.83 CA1 (0.34) CA2CA9CA1CA12HTR6
SCHEMBL8633092 0.76 CA1 (0.33) CA2CA9CA1CA12NPSR1
SCHEMBL8633546 0.76 SLC40A1 (0.33) CA2CA9CA1CA12MEN1
SCHEMBL8629616 0.76 NPC1 (0.33) CA2CA9CA1CA12
SCHEMBL8653023 0.74 CA2 (0.32) CA2CA9CA1CA12CA4
SCHEMBL8633120 0.73 TAAR1 (0.34) CA2CA1KMT2A
SCHEMBL7911326 0.72
SCHEMBL10991718 0.65 HTR6 (0.62) CA2CA9CA1CA12NPSR1
SCHEMBL10506981 0.61 CA2 (0.39) CA2CA9CA1CA12CA4
SCHEMBL8633923 0.61 PTPRC (0.44) MEN1CYP3A4KMT2AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5847126-A N-azinyl-N'-(het) arylsulphonyl-ureas BAYER AKTIENGESELLSCHAFT (DE) 1998-12-08 US disclosed
US-5696257-A INTERMEDIATES FOR HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-12-09 US disclosed
US-5580842-A HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1996-12-03 US disclosed
US-5476936-A Herbicides BAYER AKTIENGESELLSCHAFT (DE) 1995-12-19 US disclosed