SCHEMBL7806403

SCHEMBL7806403

COc1cc(OC)nc(NC(=O)NS(=O)(=O)Nc2ccc(C)cc2C(=O)N(C)C)n1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.53
GAA P10253 2/20 0.47
ALOX15 P16050 1/20 0.40
CYP1A2 P05177 1/20 0.40
MAPT P10636 4/20 0.38
TP53 P04637 1/20 0.38
GLA P06280 1/20 0.38
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
METAP2 P50579 1/20 0.34
HTT P42858 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
SCHEMBL7813176 0.89 CDK1 (0.52) CDK1GAAALOX15CYP1A2MAPT
SCHEMBL7806393 0.89 GAA (0.56) CDK1GAAALOX15CYP1A2MAPT
SCHEMBL116126 0.88 CDK1 (0.55) CDK1GAAALOX15CYP1A2MAPT
SCHEMBL29878397 0.88 CDK1 (0.55) CDK1GAAALOX15CYP1A2MAPT
SCHEMBL8539345 0.84 GAA (0.45) CDK1GAAALOX15CYP1A2MAPT
SCHEMBL7809237 0.84 CDK1 (0.49) CDK1GAAALOX15MAPTTP53
SCHEMBL7808142 0.83 CDK1 (0.55) CDK1GAAALOX15CYP1A2MAPT
Chlorobenzene SCHEMBL23797205 0.82 CDK1 (0.50) CDK1GAAALOX15CYP1A2MAPT
SCHEMBL7813196 0.81 CDK1 (0.48) CDK1GAAALOX15CYP1A2MAPT
SCHEMBL7808101 0.80 GAA (0.47) CDK1GAAALOX15CYP1A2MAPT

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