SCHEMBL11001284

SCHEMBL11001284

COc1cc(OC)nc(NC(=O)NS(=O)(=O)c2ncccc2Cl)n1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.57
CDK1 P06493 1/20 0.46
MAPT P10636 2/20 0.44
TP53 P04637 1/20 0.44
GLA P06280 1/20 0.44
ALDH1A1 P00352 2/20 0.44
CYP1A2 P05177 1/20 0.44
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL10998786 0.94 GAA (0.50) GAACDK1MAPTTP53GLA
SCHEMBL10999502 0.87 ALDH1A1 (0.49) GAAMAPTTP53ALDH1A1KDM4E
SCHEMBL9522827 0.87 GAA (0.58) GAACDK1MAPTTP53GLA
SCHEMBL8883721 0.86 GAA (0.57) GAACDK1MAPTTP53GLA
SCHEMBL8104436 0.85 GAA (0.56) GAACDK1MAPTTP53GLA
SCHEMBL9040212 0.85 GAA (0.56) GAACDK1MAPTTP53GLA
SCHEMBL10365723 0.85 GAA (0.56) GAACDK1MAPTTP53GLA
SCHEMBL9628294 0.85 GAA (0.56) GAACDK1MAPTTP53GLA
SCHEMBL10999321 0.85 ALOX15 (0.46) GAAMAPTTP53ALDH1A1KDM4E
SCHEMBL8675183 0.84 GAA (0.55) GAACDK1MAPTTP53GLA

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
US-4522645-A PRE AND POST EMERGENCE HERBICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1985-06-11 US disclosed
US-4435206-A PREEMERGENCE AND POSTEMERGENCE HERBICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1984-03-06 US disclosed