SCHEMBL9822800

SCHEMBL9822800

COc1cc(OC)nc(NC(=O)NS(=O)(=O)c2c(C)cccc2-c2nnnn2C)n1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.48
CDK1 P06493 1/20 0.40
MAPT P10636 2/20 0.38
TP53 P04637 1/20 0.38
GLA P06280 1/20 0.38
CYP1A2 P05177 1/20 0.37
TYK2 P29597 1/20 0.36
ACLY P53396 1/20 0.35
HIF1A Q16665 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
ALDH1A1 P00352 2/20 0.35
KMT2A Q03164 2/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL9822901 0.95 GAA (0.44) GAACDK1MAPTTP53GLA
SCHEMBL9822839 0.88 GAA (0.42) GAACYP1A2HIF1ANPSR1RXFP1
SCHEMBL9822976 0.87 GAA (0.50) GAACDK1MAPTTP53GLA
SCHEMBL9822877 0.82 GAA (0.45) GAACDK1MAPTTP53GLA
SCHEMBL9822721 0.81 GAA (0.45) GAACDK1MAPTTP53GLA
SCHEMBL6313355 0.79 GAA (0.57) GAACDK1MAPTTP53GLA
SCHEMBL3589040 0.75 GAA (0.55) GAACDK1MAPTTP53GLA
SCHEMBL9756681 0.75 GAA (0.48) GAACDK1MAPTTP53GLA
SCHEMBL11347038 0.75 GAA (0.52) GAACDK1MAPTTP53GLA
SCHEMBL9822821 0.74 GAA (0.43) GAAMAPTHIF1ANPSR1RXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0204513-B1 HERBICIDAL SULFONAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-07-17 EP claimed
US-4746353-A Herbicidal sulfonamides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1988-05-24 US claimed
EP-0204513-A2 Herbicidal sulfonamides E.I. DU PONT DE NEMOURS AND COMPANY (US) 1986-12-10 EP claimed
EP-0204513-B1 HERBICIDAL SULFONAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-07-17 EP disclosed
US-5017214-A Herbicidal sulfonamides LEVITT GEORGE (US) 1991-05-21 US disclosed
US-4913726-A PLANT GROWTH REGULATORS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1990-04-03 US disclosed
US-4786311-A Herbicidal sulfonamides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1988-11-22 US disclosed
US-4746353-A Herbicidal sulfonamides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1988-05-24 US disclosed
EP-0204513-A2 Herbicidal sulfonamides E.I. DU PONT DE NEMOURS AND COMPANY (US) 1986-12-10 EP disclosed