SCHEMBL7813196

SCHEMBL7813196

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

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.48
GAA P10253 1/20 0.46
MAPT P10636 2/20 0.40
TP53 P04637 1/20 0.40
GLA P06280 1/20 0.40
ALOX15 P16050 1/20 0.39
CYP1A2 P05177 1/20 0.39
KMT2A Q03164 1/20 0.36
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL7811671 0.89 GAA (0.50) CDK1GAAMAPTTP53GLA
SCHEMBL8111084 0.89 CDK1 (0.47) CDK1GAAMAPTTP53GLA
SCHEMBL116126 0.85 CDK1 (0.55) CDK1GAAMAPTTP53GLA
SCHEMBL29878397 0.85 CDK1 (0.55) CDK1GAAMAPTTP53GLA
SCHEMBL7809237 0.81 CDK1 (0.49) CDK1GAAMAPTTP53GLA
SCHEMBL7806403 0.81 CDK1 (0.53) CDK1GAAMAPTTP53GLA
SCHEMBL10946516 0.80 TSHR (0.51) GAAMAPTTP53GLAALOX15
Chlorobenzene SCHEMBL23797205 0.80 CDK1 (0.50) CDK1GAAMAPTTP53GLA
SCHEMBL7808101 0.79 GAA (0.47) CDK1GAAMAPTTP53GLA
SCHEMBL7806393 0.78 GAA (0.56) CDK1GAAMAPTTP53GLA

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