SCHEMBL8106632

SCHEMBL8106632

COC(=O)C1(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)C=CC=CC1C

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
CYP1A2 P05177 1/20 0.41
CDK1 P06493 1/20 0.38
MAPT P10636 2/20 0.37
TP53 P04637 1/20 0.37
GLA P06280 1/20 0.37
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.33
HDAC1 Q13547 1/20 0.31
ALOX15 P16050 1/20 0.31
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL4452054 0.79 GAA (0.42) GAACYP1A2CDK1MAPTTP53
SCHEMBL6313348 0.77 GAA (0.48) GAACYP1A2CDK1MAPTTP53
SCHEMBL11098013 0.71 GAA (0.40) GAACYP1A2CDK1MAPTTP53
SCHEMBL8676026 0.71 GAA (0.63) GAACYP1A2CDK1MAPTTP53
SCHEMBL10859355 0.71 GAA (0.63) GAACYP1A2CDK1MAPTTP53
SCHEMBL10363492 0.70 GAA (0.43) GAACYP1A2CDK1MAPTTP53
SCHEMBL8167976 0.70 GAA (0.43) GAACYP1A2CDK1MAPTTP53
SCHEMBL8780934 0.70 GAA (0.61) GAACYP1A2CDK1MAPTTP53
SCHEMBL7800046 0.70 GAA (0.61) GAACYP1A2CDK1MAPTTP53
SCHEMBL6642783 0.69 GAA (0.39) GAACYP1A2CDK1MAPTTP53

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-0639050-B1 SYNERGISTIC COMPOSITION AND PROCESS FOR SELECTIVE WEED CONTROL NOVARTIS AG (CH) 2000-12-27 EP claimed
EP-0639050-B1 SYNERGISTIC COMPOSITION AND PROCESS FOR SELECTIVE WEED CONTROL NOVARTIS AG (CH) 2000-12-27 EP disclosed