SCHEMBL9825762

SCHEMBL9825762

O=C1NS(=O)(=O)c2cc(OC(F)F)ccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 18/20 0.54
CA9 Q16790 18/20 0.54
CA2 P00918 13/20 0.49
CA1 P00915 8/20 0.49
CA7 P43166 7/20 0.49
GLO1 Q04760 1/20 0.49
KDM4E B2RXH2 1/20 0.47
USP2 O75604 1/20 0.47
LMNA P02545 1/20 0.47
BCHE P06276 1/20 0.47
CA4 P22748 1/20 0.47
CA6 P23280 1/20 0.47
CA5A P35218 1/20 0.47
KMT2A Q03164 1/20 0.47
CA14 Q9ULX7 1/20 0.47
CA5B Q9Y2D0 1/20 0.47
CHEK1 O14757 1/20 0.42
DAPK3 O43293 1/20 0.42
MAP4K4 O95819 1/20 0.42
RET P07949 1/20 0.42

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
SCHEMBL5186168 0.80 CA12 (0.63) CA12CA9CA2CA1CA7
SCHEMBL20443154 0.80 CA12 (0.57) CA12CA9CA2CA1CA7
SCHEMBL11681555 0.76 CA12 (0.53) CA12CA9CA2CA1CA7
SCHEMBL29350588 0.74 CA12 (0.62) CA12CA9CA2CA1CA7
SCHEMBL10815413 0.74 CA12 (0.62) CA12CA9CA2CA1CA7
SCHEMBL7340305 0.74 CA12 (0.50) CA12CA9CA2CA1CA7
SCHEMBL9814730 0.72 MAOB (0.59) CA12CA9CA2CA1CA7
SCHEMBL20423635 0.71 CA12 (0.47) CA12CA9CA2CA1CA7
SCHEMBL20437010 0.71 PTPN11 (0.48) CA12CA9CA2CA1KMT2A
SCHEMBL9814710 0.70 CA12 (0.62) CA12CA9CA2CA1CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0235449-B1 HERBICIDAL SULFONAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-09-11 EP disclosed
EP-0235449-A1 Herbicidal sulfonamides E.I. DU PONT DE NEMOURS AND COMPANY (US) 1987-09-09 EP disclosed