SCHEMBL9755749

SCHEMBL9755749

CCc1n[nH]c(CS(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)c1C(=O)OC

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.43
CYP1A2 P05177 1/20 0.39
MAPT P10636 3/20 0.38
TP53 P04637 1/20 0.38
GLA P06280 1/20 0.38
CDK1 P06493 1/20 0.36
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.33
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL3673748 0.81 GAA (0.44) GAACYP1A2MAPTTP53GLA
SCHEMBL8675059 0.75 ALDH1A1 (0.43) GAACYP1A2MAPTTP53GLA
SCHEMBL5790918 0.74 GAA (0.46) GAACYP1A2MAPTTP53GLA
SCHEMBL4465650 0.74 CYP1A2 (0.37) GAACYP1A2MAPTTP53GLA
Bensulfuron Methyl SCHEMBL55028 0.72 GAA (0.51) GAACYP1A2MAPTTP53GLA
Bensulfuron Methyl SCHEMBL27491070 0.72 GAA (0.51) GAACYP1A2MAPTTP53GLA
Bensulfuron Methyl SCHEMBL6382944 0.72 GAA (0.51) GAACYP1A2MAPTTP53GLA
Bensulfuron Methyl SCHEMBL29368260 0.72 GAA (0.51) GAACYP1A2MAPTTP53GLA
Bensulfuron Methyl SCHEMBL15524972 0.72 GAA (0.50) GAACYP1A2MAPTTP53GLA
SCHEMBL5792011 0.71 GAA (0.52) GAACYP1A2MAPTTP53GLA

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-0432200-A1 WATER-SOLUBLE OR WATER-DISPERSIBLE PESTICIDE GRANULES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-06-19 EP disclosed
WO-1990002486-A1 WATER-SOLUBLE OR WATER-DISPERSIBLE PESTICIDE GRANULES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1990-03-22 WO disclosed