SCHEMBL9021875

SCHEMBL9021875

CCn1ccc(C(=O)OC)c1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.35
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
TP53 P04637 1/20 0.32
CDK1 P06493 1/20 0.32
NR4A2 P43354 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
SCHEMBL9074375 0.87 GAA (0.38) GAAALDH1A1KDM4ENPC1MAPT
SCHEMBL9022267 0.79 GAA (0.35) GAAALDH1A1KDM4ENPC1MAPT
SCHEMBL9021912 0.79 GAA (0.38) GAAALDH1A1KDM4ENPC1MAPT
SCHEMBL10755063 0.78 GAA (0.39) GAAALDH1A1KDM4ENPC1MAPT
SCHEMBL9022418 0.77 GAA (0.45) GAAALDH1A1KDM4ENPC1MAPT
Metsulfuron-Methyl SCHEMBL29433235 0.77 NPC1 (0.46) GAAALDH1A1KDM4ENPC1MAPT
Metsulfuron-Methyl SCHEMBL29378591 0.77 NPC1 (0.46) GAAALDH1A1KDM4ENPC1MAPT
Metsulfuron-Methyl SCHEMBL9136999 0.77 NPC1 (0.46) GAAALDH1A1KDM4ENPC1MAPT
Metsulfuron-Methyl SCHEMBL21583 0.77 NPC1 (0.46) GAAALDH1A1KDM4ENPC1MAPT
SCHEMBL8530141 0.77 ALDH1A1 (0.40) GAAALDH1A1KDM4ENPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0546082-B1 HERBICIDAL PYRROLESULFONYLUREAS DU PONT (US) 1996-12-18 EP disclosed
US-5585328-A PLANT GROWTH REGULATORS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1996-12-17 US disclosed
US-5472933-A Plant growth regulators E. I. DU PONT DE NEMOURS AND COMPANY (US) 1995-12-05 US disclosed