SCHEMBL7808085

SCHEMBL7808085

COc1cc(OC)nc(NC(=O)NS(=O)(=O)Nc2ccccc2C(N)=O)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.50
MAPT P10636 2/20 0.46
TP53 P04637 2/20 0.46
GLA P06280 1/20 0.46
KMT2A Q03164 5/20 0.44
MEN1 O00255 4/20 0.44
LMNA P02545 1/20 0.44
PKM P14618 1/20 0.43
CYP1A2 P05177 1/20 0.43
CDK1 P06493 1/20 0.43
KDM4E B2RXH2 2/20 0.42
HDAC1 Q13547 1/20 0.41
ALOX15 P16050 1/20 0.40
NPC1 O15118 1/20 0.40
RECQL P46063 1/20 0.40
RAB9A P51151 1/20 0.40
MAPK10 P53779 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL8535695 0.90 GAA (0.51) GAAMAPTTP53GLAKMT2A
SCHEMBL8380205 0.90 GAA (0.51) GAAMAPTTP53GLAKMT2A
SCHEMBL7808110 0.89 GAA (0.48) GAAMAPTTP53GLAKMT2A
SCHEMBL7813210 0.88 GAA (0.49) GAAMAPTTP53GLAKMT2A
SCHEMBL1012916 0.87 GAA (0.48) GAAMAPTTP53GLAKMT2A
SCHEMBL116126 0.87 CDK1 (0.55) GAAMAPTTP53GLAKMT2A
SCHEMBL29878397 0.87 CDK1 (0.55) GAAMAPTTP53GLAKMT2A
SCHEMBL29510603 0.86 GAA (0.47) GAAMAPTTP53GLAKMT2A
SCHEMBL53468 0.86 GAA (0.47) GAAMAPTTP53GLAKMT2A
SCHEMBL6812884 0.85 GAA (0.47) GAAMAPTTP53GLAKMT2A

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-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