SCHEMBL9621633

SCHEMBL9621633

COc1cc(C)nc(NC(=O)NS(=O)(=O)N(C)S(C)(=O)=O)n1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.51
CDK1 P06493 1/20 0.45
CYP1A2 P05177 1/20 0.43
TSHR P16473 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALOX15 P16050 1/20 0.41
MAPT P10636 2/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
HIF1A Q16665 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HTT P42858 1/20 0.39

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
SCHEMBL8347834 0.92 GAA (0.58) GAACDK1CYP1A2SMN1; SMN2MAPT
SCHEMBL54922 0.92 GAA (0.58) GAACDK1CYP1A2SMN1; SMN2MAPT
SCHEMBL2320176 0.91 GAA (0.57) GAACDK1CYP1A2SMN1; SMN2MAPT
SCHEMBL10670437 0.86 GAA (0.52) GAACDK1CYP1A2TSHRSMN1; SMN2
SCHEMBL7157074 0.84 GAA (0.57) GAACDK1CYP1A2SMN1; SMN2MAPT
SCHEMBL10847825 0.83 GAA (0.53) GAACDK1CYP1A2TSHRSMN1; SMN2
SCHEMBL10861755 0.82 GAA (0.54) GAACDK1CYP1A2TSHRSMN1; SMN2
SCHEMBL28716162 0.81 GAA (0.54) GAACDK1CYP1A2TSHRSMN1; SMN2
SCHEMBL6906049 0.80 GAA (0.56) GAACDK1CYP1A2SMN1; SMN2MAPT
SCHEMBL11121612 0.78 TSHR (0.69) GAATSHRSMN1; SMN2MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4601747-A N-alkoxyaminosulfonylureas and N-alkylsulfonylaminosulfonylureas and pyrimidino thiadiazine oxides as herbicides and plant growth-regulators HOECHST AKTIENGESELLSCHAFT (DE) 1986-07-22 US claimed
US-5157121-A Reaction of alkyl(n-alkylsulfonyl-n-alkylamino)sulfonyl carbamates with 2-aminopyrimidines HOECHST AKTIENGESELLSCHAFT (DE) 1992-10-20 US disclosed
US-5155222-A PROCESS FOR THE PREPARATION OF N-ALKYLSULFONYLAMINOSULFONYLUREAS HOECHST AKTIENGESELLSCHAFT (DE) 1992-10-13 US disclosed
US-4718937-A HERBICIDES, PLANT GROWTH REGULATORS HOECHST AKTIENGESELLSCHAFT (DE) 1988-01-12 US disclosed
US-4601747-A N-alkoxyaminosulfonylureas and N-alkylsulfonylaminosulfonylureas and pyrimidino thiadiazine oxides as herbicides and plant growth-regulators HOECHST AKTIENGESELLSCHAFT (DE) 1986-07-22 US disclosed