SCHEMBL9040432

SCHEMBL9040432

COc1cc(OC)nc(NC(=O)NS(=O)(=O)c2nc(OC)ccc2C(=O)O)n1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.59
CDK1 P06493 1/20 0.54
CYP1A2 P05177 1/20 0.46
MAPT P10636 2/20 0.46
TP53 P04637 1/20 0.46
GLA P06280 1/20 0.46
POLB P06746 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SORT1 Q99523 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 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
Flupyrsulfuron SCHEMBL115535 0.87 GAA (0.61) GAACDK1CYP1A2MAPTTP53
SCHEMBL9040212 0.85 GAA (0.56) GAACDK1CYP1A2MAPTTP53
Flupyrsulfuron SCHEMBL1806123 0.85 GAA (0.59) GAACDK1CYP1A2MAPTTP53
SCHEMBL10984018 0.82 GAA (0.60) GAACDK1CYP1A2MAPTTP53
SCHEMBL15449146 0.81 GAA (0.57) GAACDK1CYP1A2MAPTTP53
SCHEMBL11378540 0.81 CDK1 (0.57) GAACDK1CYP1A2MAPTTP53
SCHEMBL10469643 0.81 GAA (0.59) GAACDK1CYP1A2MAPTTP53
SCHEMBL9394302 0.81 GAA (0.56) GAACDK1CYP1A2MAPTTP53
SCHEMBL8474705 0.81 GAA (0.53) GAACDK1CYP1A2MAPTTP53
Flupyrsulfuron SCHEMBL15994146 0.80 GAA (0.53) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0273610-B1 Herbicidal pyridinesulfonylureas DU PONT (US) 1996-09-11 EP disclosed
US-5393733-A Herbicidal pyridinesulfonylureas E. I. DU PONT DE NEMOURS AND COMPANY (US) 1995-02-28 US disclosed
US-5102444-A Herbicidal pyridinesulfonylureas E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-04-07 US disclosed
EP-0334896-A1 HERBICIDAL PYRIDINESULFONYLUREAS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1989-10-04 EP disclosed
WO-1989001937-A1 HERBICIDAL PYRIDINESULFONYLUREAS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1989-03-09 WO disclosed
US-4808721-A Herbicidal pyridinesulfonylureas E. I. DU PONT DE NEMOURS AND COMPANY (US) 1989-02-28 US disclosed
WO-1988004297-A1 HERBICIDAL PYRIDINESULFONYLUREAS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1988-06-16 WO disclosed