SCHEMBL11043791

SCHEMBL11043791

COC(=O)Oc1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)c2ccccc2n1C

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.49
MAPT P10636 2/20 0.43
TP53 P04637 1/20 0.43
GLA P06280 1/20 0.43
CDK1 P06493 1/20 0.41
CYP1A2 P05177 1/20 0.40
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KMT2A Q03164 1/20 0.37
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
FBP1 P09467 1/20 0.33

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
SCHEMBL10974258 0.94 GAA (0.44) GAAMAPTTP53GLACDK1
SCHEMBL11037886 0.89 ALDH1A1 (0.39) GAAMAPTTP53KDM4EALDH1A1
SCHEMBL11045447 0.89 GAA (0.40) GAAMAPTKDM4EALDH1A1HPGD
SCHEMBL11041438 0.88 KDM4E (0.39) GAAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL11040008 0.86 ALDH1A1 (0.36) GAAMAPTKDM4EALDH1A1HPGD
SCHEMBL10569523 0.84 GAA (0.51) GAAMAPTTP53GLACDK1
SCHEMBL10566127 0.79 SMN1; SMN2 (0.46) GAAMAPTTP53GLACDK1
SCHEMBL10568375 0.79 KDM4E (0.51) GAAMAPTTP53GLACDK1
SCHEMBL10971549 0.78 GAA (0.50) GAAMAPTTP53GLACDK1
SCHEMBL9426154 0.74 GAA (0.46) GAAMAPTTP53GLACDK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0070698-B1 HERBICIDAL INDOLE SULFONAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1985-11-13 EP claimed