SCHEMBL7809243

SCHEMBL7809243

COc1cc(OC)nc(NC(=O)NS(=O)(=O)Nc2ccccc2C(=O)NCC(F)(F)F)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
MAPT P10636 2/20 0.42
TP53 P04637 1/20 0.42
GLA P06280 1/20 0.42
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 3/20 0.39
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KMT2A Q03164 2/20 0.39
CDK1 P06493 1/20 0.38
HDAC1 Q13547 1/20 0.38
MRGPRX1 Q96LB2 1/20 0.38
TSHR P16473 1/20 0.37
MAPK1 P28482 2/20 0.37
CYP1A2 P05177 1/20 0.37
MEN1 O00255 1/20 0.37
KCNK3 O14649 1/20 0.36
AURKA O14965 1/20 0.36
LCK P06239 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
SCHEMBL7808045 0.88 GAA (0.47) GAAMAPTTP53GLAALDH1A1
SCHEMBL7813210 0.85 GAA (0.49) GAAMAPTTP53GLAALDH1A1
SCHEMBL7808110 0.84 GAA (0.48) GAAMAPTTP53GLAALDH1A1
SCHEMBL8380205 0.83 GAA (0.51) GAAMAPTTP53GLAALDH1A1
SCHEMBL8535695 0.83 GAA (0.51) GAAMAPTTP53GLAKDM4E
SCHEMBL1012916 0.82 GAA (0.48) GAAMAPTTP53GLASMN1; SMN2
SCHEMBL7808085 0.82 GAA (0.50) GAAMAPTTP53GLAALDH1A1
SCHEMBL10950577 0.81 ALDH1A1 (0.52) GAAMAPTTP53GLAALDH1A1
SCHEMBL7801293 0.81 PTK2 (0.48) GAAMAPTTP53GLAALDH1A1
SCHEMBL116126 0.80 CDK1 (0.55) GAAMAPTTP53GLASMN1; SMN2

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