SCHEMBL8097780

SCHEMBL8097780

COc1cc(OC)nc(NC(=O)NS(=O)(=O)c2cccnc2C(OC(C)=O)C(C)F)n1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.50
CDK1 P06493 1/20 0.43
CYP1A2 P05177 1/20 0.39
MAPT P10636 2/20 0.37
TP53 P04637 1/20 0.37
GLA P06280 1/20 0.37
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL6571681 0.90 GAA (0.48) GAACDK1CYP1A2MAPTTP53
SCHEMBL7806546 0.90 GAA (0.48) GAACDK1CYP1A2MAPTTP53
SCHEMBL15427726 0.89 GAA (0.47) GAACDK1CYP1A2MAPTTP53
SCHEMBL118237 0.89 GAA (0.47) GAACDK1CYP1A2MAPTTP53
SCHEMBL28422175 0.89 GAA (0.47) GAACDK1CYP1A2MAPTTP53
SCHEMBL6944985 0.88 GAA (0.46) GAACDK1CYP1A2MAPTTP53
SCHEMBL8097940 0.88 GAA (0.53) GAACDK1CYP1A2MAPTTP53
SCHEMBL14366604 0.88 GAA (0.54) GAACDK1CYP1A2MAPTTP53
SCHEMBL3679455 0.87 GAA (0.53) GAACDK1CYP1A2MAPTTP53
Methoxyacetic Acid SCHEMBL27733351 0.86 GAA (0.44) 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-0788486-B1 HERBICIDAL SULFONYL UREA DERIVATIVES KOREA RES INST CHEM TECH (KR) 2000-07-12 EP claimed
WO-1996012708-A1 HERBICIDAL SULFONYL UREA DERIVATIVES KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1996-05-02 WO claimed
EP-0788486-B1 HERBICIDAL SULFONYL UREA DERIVATIVES KOREA RES INST CHEM TECH (KR) 2000-07-12 EP disclosed
WO-1996012708-A1 HERBICIDAL SULFONYL UREA DERIVATIVES KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1996-05-02 WO disclosed