SCHEMBL7811671

SCHEMBL7811671

COc1cc(OC)nc(NC(=O)NS(=O)(=O)Nc2cccc(F)c2C(=O)N(C)C)n1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.50
CDK1 P06493 1/20 0.47
CYP1A2 P05177 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MAPT P10636 2/20 0.39
TP53 P04637 1/20 0.39
GLA P06280 1/20 0.39
ALOX15 P16050 1/20 0.37
KMT2A Q03164 2/20 0.35
HDAC1 Q13547 1/20 0.35
PDE10A Q9Y233 1/20 0.35
MEN1 O00255 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
SCHEMBL7813196 0.89 CDK1 (0.48) GAACDK1CYP1A2MAPTTP53
SCHEMBL8111084 0.88 CDK1 (0.47) GAACDK1CYP1A2MAPTTP53
SCHEMBL116126 0.84 CDK1 (0.55) GAACDK1CYP1A2MAPTTP53
SCHEMBL29878397 0.84 CDK1 (0.55) GAACDK1CYP1A2MAPTTP53
SCHEMBL7806393 0.81 GAA (0.56) GAACDK1CYP1A2NPC1RAB9A
Chlorobenzene SCHEMBL23797205 0.79 CDK1 (0.50) GAACDK1CYP1A2MAPTTP53
SCHEMBL7809237 0.78 CDK1 (0.49) GAACDK1MAPTTP53GLA
SCHEMBL7806403 0.78 CDK1 (0.53) GAACDK1CYP1A2MAPTTP53
SCHEMBL7808101 0.78 GAA (0.47) GAACDK1CYP1A2MAPTTP53
SCHEMBL7808142 0.77 CDK1 (0.55) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0971902-B1 AMINOSULFONYLUREAS WITH HERBICIDAL ACTIVITY ISAGRO RICERCA SRL (IT) 2001-12-19 EP disclosed
US-6329323-B1 AMINOTRIAZINE DERIVATIVES ISAGRO RICERCA S.R.L. (IT) 2001-12-11 US disclosed
EP-0971902-A1 AMINOSULFONYLUREAS WITH HERBICIDAL ACTIVITY ISAGRO RICERCA S.r.l. (IT) 2000-01-19 EP disclosed
WO-1998040361-A1 AMINOSULFONYLUREAS WITH HERBICIDAL ACTIVITY ISAGRO RICERCA S.R.L. (IT) 1998-09-17 WO disclosed