SCHEMBL8538080

SCHEMBL8538080

COc1cc(OC)nc(NC(=O)NS(=O)(=O)Nc2ccc(C#CCl)cc2)n1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.49
CDK1 P06493 1/20 0.44
CYP1A2 P05177 1/20 0.42
MAPT P10636 2/20 0.40
TP53 P04637 1/20 0.40
GLA P06280 1/20 0.40
ALOX15 P16050 1/20 0.40
KMT2A Q03164 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 1/20 0.35
AKT1 P31749 1/20 0.35
HTT P42858 1/20 0.35
P2RY1 P47900 1/20 0.35
MEN1 O00255 1/20 0.34
USP2 O75604 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
SCHEMBL8534941 0.89 GAA (0.49) GAACDK1CYP1A2MAPTTP53
SCHEMBL8538411 0.85 ALOX15 (0.39) GAACDK1MAPTALOX15KMT2A
SCHEMBL8538069 0.81 GAA (0.47) GAACDK1CYP1A2MAPTTP53
SCHEMBL8859618 0.80 GAA (0.60) GAACDK1CYP1A2MAPTTP53
SCHEMBL9316966 0.79 GAA (0.50) GAACDK1CYP1A2MAPTTP53
SCHEMBL10948960 0.79 GAA (0.52) GAACDK1CYP1A2MAPTTP53
SCHEMBL9316190 0.77 GAA (0.48) GAACDK1CYP1A2MAPTTP53
SCHEMBL10949052 0.75 GAA (0.53) GAACDK1CYP1A2MAPTTP53
SCHEMBL8534924 0.74 ALOX15 (0.41) GAACDK1MAPTALOX15KMT2A
SCHEMBL10949384 0.74 GAA (0.52) GAACDK1CYP1A2MAPTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0770603-B1 Alkynylphenylaminosulfonyl ureas as herbicides ISAGRO RICERCA SRL (IT) 1998-09-16 EP claimed
US-5721192-A HERBICIDES ISAGRO RICERCA S.R.L. (IT) 1998-02-24 US claimed
EP-0770603-A1 Alkynylphenylaminosulfonyl ureas as herbicides ISAGRO RICERCA S.r.l. (IT) 1997-05-02 EP claimed
EP-0770603-B1 Alkynylphenylaminosulfonyl ureas as herbicides ISAGRO RICERCA SRL (IT) 1998-09-16 EP disclosed
US-5721192-A HERBICIDES ISAGRO RICERCA S.R.L. (IT) 1998-02-24 US disclosed
EP-0770603-A1 Alkynylphenylaminosulfonyl ureas as herbicides ISAGRO RICERCA S.r.l. (IT) 1997-05-02 EP disclosed