SCHEMBL8463167

SCHEMBL8463167

COc1nc(C)nc(OC(=O)c2sccc2S(=O)(=O)NC=O)n1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 17/20 0.44
EDNRB P24530 6/20 0.41
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL8427062 0.85 EDNRA (0.42) EDNRAEDNRBMEN1KMT2A
SCHEMBL2135104 0.75 EDNRA (0.47) EDNRAMEN1KMT2A
Thifensulfuron-Methyl SCHEMBL29463414 0.73 EDNRA (0.46) EDNRAMEN1KMT2A
Thifensulfuron-Methyl SCHEMBL20723624 0.73 EDNRA (0.46) EDNRAMEN1KMT2A
Thifensulfuron-Methyl SCHEMBL53606 0.73 EDNRA (0.46) EDNRAMEN1KMT2A
Thifensulfuron-Methyl SCHEMBL9139398 0.73 EDNRA (0.46) EDNRAMEN1KMT2A
SCHEMBL14173003 0.71 CDK1 (0.40) EDNRAEDNRB
Ammonia Solution, Strong SCHEMBL9536160 0.70 EDNRA (0.42) EDNRAMEN1KMT2A
SCHEMBL10473901 0.70 GAA (0.38) EDNRAEDNRB
Thifensulfuron-Methyl SCHEMBL2442597 0.70 EDNRA (0.43) EDNRAMEN1KMT2A

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
US-5945377-A POTENTIATOR AGAINST WEEDS WITHOUT DECREASING THE TOLERENCECROP PLANT TO HERBICIDE; SPRAYING IN WATER BOARD OF TRUSTEES OPERATING MICHIGAN STATE UNIVERSITY (US) 1999-08-31 US disclosed