SCHEMBL11095498

SCHEMBL11095498

COc1cc(OC)nc(NC(=O)NS(=O)(=O)c2cc(C(F)(F)F)ccc2S(=O)(=O)N(C)C)n1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.54
CDK1 P06493 1/20 0.51
KCNJ6 P48051 1/20 0.43
KCNJ3 P48549 1/20 0.43
CYP1A2 P05177 1/20 0.40
MAPT P10636 2/20 0.38
TP53 P04637 1/20 0.38
GLA P06280 1/20 0.38
NTRK1 P04629 1/20 0.38
TRPV4 Q9HBA0 1/20 0.37
GSTO1 P78417 1/20 0.37
SORT1 Q99523 1/20 0.37
KMT2A Q03164 1/20 0.36

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
SCHEMBL10508252 0.85 GAA (0.58) GAACDK1CYP1A2MAPTTP53
SCHEMBL8444621 0.80 GAA (0.58) GAACDK1KCNJ6KCNJ3CYP1A2
SCHEMBL11090774 0.80 GAA (0.49) GAACDK1KCNJ6KCNJ3MAPT
SCHEMBL11086619 0.79 GAA (0.51) GAACDK1MAPTTP53GLA
SCHEMBL11089667 0.79 TSHR (0.51) GAACDK1KCNJ6KCNJ3KMT2A
SCHEMBL10363991 0.78 GAA (0.50) GAACDK1KCNJ6KCNJ3CYP1A2
SCHEMBL10736294 0.77 GAA (0.56) GAACDK1CYP1A2MAPTTP53
SCHEMBL11086097 0.77 GAA (0.56) GAACDK1CYP1A2MAPTTP53
SCHEMBL28419963 0.76 GAA (0.53) GAACDK1CYP1A2MAPTTP53
SCHEMBL9021744 0.76 GAA (0.53) GAACDK1KCNJ6KCNJ3CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0023141-B1 HERBICIDAL SULFONAMIDES, PREPARATION AND USE THEREOF, COMPOSITIONS CONTAINING THEM, INTERMEDIATES THEREFOR AND PREPARATION OF SUCH INTERMEDIATES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1984-04-11 EP disclosed
EP-0023141-A2 Herbicidal sulfonamides, preparation and use thereof, compositions containing them, intermediates therefor and preparation of such intermediates E.I. DU PONT DE NEMOURS AND COMPANY (US) 1981-01-28 EP disclosed