SCHEMBL9724852

SCHEMBL9724852

CC(=O)OCc1ccc2c(c1)C(=O)NS2(=O)=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 14/20 0.53
CA9 Q16790 14/20 0.53
CA2 P00918 13/20 0.53
CA1 P00915 8/20 0.53
CHEK1 O14757 1/20 0.48
DAPK3 O43293 1/20 0.48
MAP4K4 O95819 1/20 0.48
RET P07949 1/20 0.48
PIM1 P11309 1/20 0.48
LTK P29376 1/20 0.48
GRK5 P34947 1/20 0.48
CSNK1A1 P48729 1/20 0.48
CDK8 P49336 1/20 0.48
PRKX P51817 1/20 0.48
LIMK1 P53667 1/20 0.48
CDK5 Q00535 1/20 0.48
ACVR1 Q04771 1/20 0.48
PTK2 Q05397 1/20 0.48
TYRO3 Q06418 1/20 0.48
PRKAA1 Q13131 1/20 0.48

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
SCHEMBL8337671 0.75 CHEK1 (0.54) CA12CA9CA2CA1CHEK1
Saccharin SCHEMBL29283763 0.74 CA12 (0.65) CA12CA9CA2CA1CA7
SCHEMBL28122890 0.74 RET (0.57) CA12CA9CA2CA1CHEK1
SCHEMBL12745902 0.70 CHEK1 (0.51) CA12CA9CA2CA1CHEK1
SCHEMBL19066303 0.69 CHEK1 (0.48) CA12CA9CA2CA1CHEK1
SCHEMBL29643014 0.69 CHEK1 (0.48) CA12CA9CA2CA1CHEK1
SCHEMBL17762970 0.69 MAPT (0.57) CA2KDM4ELMNAKMT2ACYP3A4
SCHEMBL132773 0.69 ALDH1A1 (0.78) CA2KDM4ELMNAKMT2ACYP3A4
SCHEMBL32689426 0.69 CHEK1 (0.62) CA12CA9CA2CA1CHEK1
SCHEMBL1666180 0.69 CHEK1 (0.62) CA12CA9CA2CA1CHEK1

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