SCHEMBL8535113

SCHEMBL8535113

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

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.53
HSD17B10 Q99714 2/20 0.50
ALDH1A1 P00352 1/20 0.50
CA1 P00915 9/20 0.49
CA2 P00918 9/20 0.49
CA9 Q16790 7/20 0.49
CA12 O43570 5/20 0.49
CA5A P35218 1/20 0.49
CA7 P43166 3/20 0.46
CA14 Q9ULX7 3/20 0.46
KDM4E B2RXH2 1/20 0.44
KMT2A Q03164 1/20 0.44
CDC25B P30305 2/20 0.43
STS P08842 1/20 0.42
LMNA P02545 1/20 0.42
CDK1 P06493 1/20 0.42
CDK2 P24941 1/20 0.42
CYP1A2 P05177 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
SCHEMBL28768531 0.89 ALDH1A1 (0.55) TSHRHSD17B10ALDH1A1CA1CA2
SCHEMBL8827435 0.85 TSHR (0.53) TSHRHSD17B10ALDH1A1CA1CA2
SCHEMBL30748712 0.84 CA1 (0.68) TSHRHSD17B10ALDH1A1CA1CA2
SCHEMBL7363093 0.84 CA1 (0.68) TSHRHSD17B10ALDH1A1CA1CA2
SCHEMBL8539302 0.83 CA2 (0.71) TSHRHSD17B10ALDH1A1CA1CA2
Diethyl Phthalate SCHEMBL28312346 0.81 TSHR (0.64) TSHRHSD17B10ALDH1A1CA1CA2
SCHEMBL9139053 0.80 TSHR (0.46) TSHRHSD17B10ALDH1A1CA1CA2
SCHEMBL9139901 0.79 TSHR (0.53) TSHRHSD17B10ALDH1A1CA1CA2
SCHEMBL27719622 0.79 CA1 (0.49) HSD17B10ALDH1A1CA1CA2CA9
SCHEMBL9142752 0.79 CA2 (0.54) TSHRHSD17B10ALDH1A1CA1CA2

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