SCHEMBL7049487

SCHEMBL7049487

C[N]c1cccc(S(C)(=O)=O)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 1/20 0.44
CA2 P00918 7/20 0.43
CA9 Q16790 7/20 0.43
CA12 O43570 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.40
CA1 P00915 4/20 0.40
CA7 P43166 3/20 0.40
GLO1 Q04760 1/20 0.39
LOX P28300 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
ALDH1A1 P00352 3/20 0.37
GAA P10253 2/20 0.37
HSD17B10 Q99714 1/20 0.37
DRD2 P14416 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
SCHEMBL14257233 0.83 NOS1 (0.44) NOS1CA2CA9CA12SMN1; SMN2
SCHEMBL18856687 0.82 NOS1 (0.43) NOS1CA2CA9CA12SMN1; SMN2
SCHEMBL18856688 0.82 NOS1 (0.43) NOS1CA2CA9CA12SMN1; SMN2
SCHEMBL7050591 0.82 TSHR (0.52) NOS1CA2CA9CA12SMN1; SMN2
SCHEMBL10051059 0.79 CA1 (0.55) CA2SMN1; SMN2CA1LOXLOXL2
SCHEMBL1772255 0.79 CYP3A4 (0.42) NOS1CA2CA9CA12SMN1; SMN2
SCHEMBL8397909 0.77 NOS1 (0.60) NOS1CA2CA9CA12GLO1
SCHEMBL14257779 0.77 MIF (0.45) NOS1CA2CA9CA12CA1
SCHEMBL13651658 0.77 CA2 (0.44) NOS1CA2CA9CA12SMN1; SMN2
SCHEMBL7053876 0.77 ALDH1A1 (0.44) NOS1CA2CA9CA12SMN1; SMN2

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-0882715-B1 NOVEL N-(UNSUBSTITUTED OR SUBSTITUTED)-4-SUBSTITUTED-6-(UNSUBSTITUTED OR SUBSTITUTED)PHENOXY-2-PYRIDINECARBOXAMIDES OR THIOCARBOXAMIDES, PROCESSES FOR PRODUCING THE SAME, AND HERBICIDES KUREHA CHEMICAL IND CO LTD (JP) 2003-04-23 EP disclosed
US-6339045-B1 CAN BE USED IN A SMALL AMOUNT, SHOWING A GOOD SELECTIVITY BETWEEN CROP AND WEED, AND CAUSING NO PHYTOTOXICITY KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2002-01-15 US disclosed
EP-0882715-A1 NOVEL N-(UNSUBSTITUTED OR SUBSTITUTED)-4-SUBSTITUTED-6-(UNSUBSTITUTED OR SUBSTITUTED)PHENOXY-2-PYRIDINECARBOXAMIDES OR THIOCARBOXAMIDES, PROCESSES FOR PRODUCING THE SAME, AND HERBICIDES KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1998-12-09 EP disclosed