SCHEMBL9490849

SCHEMBL9490849

CNS(=O)(=O)OCCOc1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
DRD4 P21917 4/20 0.44
DRD2 P14416 3/20 0.44
DRD3 P35462 3/20 0.44
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA3 P07451 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA5A P35218 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA13 Q8N1Q1 1/20 0.42
CA14 Q9ULX7 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
NPC1 O15118 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
CYP1A2 P05177 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
SCHEMBL9451229 0.83 HTR1B (0.52) KMT2AMEN1DRD4DRD2DRD3
SCHEMBL6271706 0.81 MEN1 (0.46) KMT2AMEN1DRD4DRD2DRD3
SCHEMBL9451333 0.77 CA1 (0.55) KMT2AMEN1CA12CA1CA2
SCHEMBL9451336 0.77 CYP1A2 (0.47) KMT2AMEN1DRD4DRD2DRD3
SCHEMBL11544047 0.77 LTA4H (0.46) KMT2AMEN1DRD4DRD2DRD3
SCHEMBL9861824 0.76 KMT2A (0.44) KMT2AMEN1DRD4DRD2DRD3
SCHEMBL1345118 0.75 MAOB (0.57) DRD4DRD2DRD3NPC1HRH3
SCHEMBL9451309 0.74 CA2 (0.55) KMT2AMEN1CA12CA1CA2
SCHEMBL9451338 0.74 CA1 (0.40) CA12CA1CA2CA3CA4
SCHEMBL1332078 0.73 CA12 (0.56) KMT2AMEN1DRD4DRD2DRD3

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
US-5192785-A Sulfamates as antiglaucoma agents A. H. ROBINS COMPANY, INCORPORATED (US) 1993-03-09 US claimed
US-5192785-A Sulfamates as antiglaucoma agents A. H. ROBINS COMPANY, INCORPORATED (US) 1993-03-09 US disclosed
US-5025031-A Aryl and aryloxyalkyl sulfamate esters useful as anticonvulsants A. H. ROBINS CO., INC. (US) 1991-06-18 US disclosed