SCHEMBL8539302

SCHEMBL8539302

COC(=O)c1cccc(S(N)(=O)=O)c1I

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.71
CA1 P00915 6/20 0.71
CA9 Q16790 6/20 0.71
CA5A P35218 1/20 0.71
TSHR P16473 2/20 0.47
LMNA P02545 1/20 0.47
ALDH1A1 P00352 2/20 0.46
CFTR P13569 1/20 0.46
HSD17B10 Q99714 1/20 0.46
KMT2A Q03164 1/20 0.42
CA12 O43570 4/20 0.42
CA14 Q9ULX7 2/20 0.42
NPC1 O15118 1/20 0.42
GAA P10253 1/20 0.42
CA7 P43166 1/20 0.42
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
ATM Q13315 1/20 0.41
PTPRC P08575 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL8827344 0.84 CA1 (0.53) CA2CA1CA9CA5ATSHR
SCHEMBL8535113 0.83 TSHR (0.53) CA2CA1CA9CA5ATSHR
SCHEMBL27719622 0.83 CA1 (0.49) CA2CA1CA9CA5AALDH1A1
SCHEMBL30362278 0.83 CA1 (1.00) CA2CA1CA9CA5ATSHR
SCHEMBL2181057 0.83 CA1 (1.00) CA2CA1CA9CA5ATSHR
SCHEMBL19475233 0.82 CA2 (0.73) CA2CA1CA9CA5ATSHR
SCHEMBL7339510 0.82 CA2 (0.73) CA2CA1CA9CA5ATSHR
SCHEMBL28768531 0.81 ALDH1A1 (0.55) CA2CA1CA9CA5ATSHR
SCHEMBL28870596 0.81 CA2 (0.71) CA2CA1CA9CA5ATSHR
SCHEMBL2842204 0.80 TSHR (0.57) CA2CA1CA9CA5ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5463081-A Chemical intermediates HOECHST AKTIENGESELLSCHAFT (DE) 1995-10-31 US claimed
CN-101166724-A Sulfonylamino (thio) carbonyl compounds in the form of herbicides or plant growth regulators BAYER CROPSCIENCE AG (DE) 2008-04-23 CN disclosed
EP-0574418-B1 ARYL SULPHONYL UREA COMPOUNDS, A METHOD OF PREPARING THEM, AND THEIR USE AS HERBICIDES AND GROWTH REGULATORS HOECHST SCHERING AGREVO GMBH (DE) 1998-11-11 EP disclosed
US-5688745-A Arylsulfonylureas and their use as herbicides and growth regulators HOECHST AKTIENGESELLSCHAFT (DE) 1997-11-18 US disclosed
US-5463081-A Chemical intermediates HOECHST AKTIENGESELLSCHAFT (DE) 1995-10-31 US disclosed
EP-0574418-A1 ARYL SULPHONYL UREA COMPOUNDS, A METHOD OF PREPARING THEM, AND THEIR USE AS HERBICIDES AND GROWTH REGULATORS Hoechst Schering AgrEvo GmbH (DE) 1993-12-22 EP disclosed
WO-1992013845-A1 ARYL SULPHONYL UREA COMPOUNDS, A METHOD OF PREPARING THEM, AND THEIR USE AS HERBICIDES AND GROWTH REGULATORS HOECHST AKTIENGESELLSCHAFT (DE) 1992-08-20 WO disclosed