SCHEMBL10514535

SCHEMBL10514535

COC(=O)c1ccc(OCC(F)(F)F)nc1S(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.52
CDK1 P06493 1/20 0.47
MAPT P10636 2/20 0.39
TP53 P04637 1/20 0.39
GLA P06280 1/20 0.39
CYP1A2 P05177 1/20 0.38
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34

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
SCHEMBL733528 0.86 GAA (0.61) GAACDK1MAPTTP53GLA
SCHEMBL30116876 0.86 GAA (0.61) GAACDK1MAPTTP53GLA
SCHEMBL1535823 0.86 GAA (0.61) GAACDK1MAPTTP53GLA
SCHEMBL1535822 0.85 GAA (0.60) GAACDK1MAPTTP53GLA
SCHEMBL15449146 0.81 GAA (0.57) GAACDK1MAPTTP53GLA
SCHEMBL6293994 0.81 GAA (0.49) GAACDK1MAPT
SCHEMBL6293992 0.80 GAA (0.48) GAACDK1MAPT
Trifloxysulfuron SCHEMBL64184 0.80 GAA (0.55) GAACDK1MAPTTP53GLA
Trifloxysulfuron SCHEMBL15449154 0.80 GAA (0.55) GAACDK1MAPTTP53GLA
SCHEMBL9040432 0.79 GAA (0.59) GAACDK1MAPTTP53GLA

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-0327251-A1 Herbicides for control of blackgrass E.I. DU PONT DE NEMOURS AND COMPANY (US) 1989-08-09 EP claimed
EP-0327251-A1 Herbicides for control of blackgrass E.I. DU PONT DE NEMOURS AND COMPANY (US) 1989-08-09 EP disclosed