SCHEMBL9724769

SCHEMBL9724769

COC(=O)c1cc(COC(=O)C(F)(F)F)ccc1S(N)(=O)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 11/20 0.48
CA1 P00915 7/20 0.48
CA9 Q16790 5/20 0.48
CA5A P35218 1/20 0.48
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HTT P42858 1/20 0.38
CDK1 P06493 1/20 0.38
ENPP2 Q13822 1/20 0.37
CFTR P13569 1/20 0.36
CA12 O43570 4/20 0.36
CA14 Q9ULX7 3/20 0.36
CA7 P43166 2/20 0.35
PDK2 Q15119 1/20 0.35

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
SCHEMBL9724848 0.79 CA2 (0.58) CA2CA1CA9CA5AALDH1A1
SCHEMBL21962963 0.76 CA2 (0.54) CA2CA1CA9CA5AALDH1A1
SCHEMBL27128511 0.75 CFTR (0.60) CA2CA1CA9CA5AMAPT
SCHEMBL27029790 0.74 CFTR (0.58) CA2CA1CA9CA5AMAPT
SCHEMBL27127578 0.74 CA2 (0.55) CA2CA1CA9CA5ACDK1
SCHEMBL27029745 0.73 CA2 (0.54) CA2CA1CA9CA5AKDM4E
SCHEMBL21962910 0.71 CA2 (0.63) CA2CA1CA9CA5AALDH1A1
SCHEMBL30827404 0.71 CA2 (0.63) CA2CA1CA9CA5AALDH1A1
SCHEMBL11226378 0.71 CA2 (0.63) CA2CA1CA9CA5AALDH1A1
SCHEMBL9724745 0.71 KDM4E (0.43) CA2CA1CA9CA5AALDH1A1

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
US-5160363-A For sugarbeets E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-11-03 US disclosed
EP-0422031-A1 HERBICIDAL SULFONAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-04-17 EP disclosed
WO-1989010921-A1 HERBICIDAL SULFONAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1989-11-16 WO disclosed