SCHEMBL8740203

SCHEMBL8740203

COc1nc(C)nc(NS(=O)(=O)c2ccccc2C(N)=O)n1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 3/20 0.42
SGK1 O00141 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
THRB P10828 1/20 0.40
SLC40A1 Q9NP59 1/20 0.40
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA5A P35218 1/20 0.38
CA9 Q16790 1/20 0.38
ALDH1A1 P00352 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
SCHEMBL8907238 0.89 CCR4 (0.42) EDNRA
SCHEMBL8304162 0.76 CA1 (0.50) MEN1KMT2ATHRBCA1CA2
Metsulfuron-Methyl SCHEMBL29378591 0.76 NPC1 (0.46) MEN1KMT2ASLC40A1GAAMAPT
Metsulfuron-Methyl SCHEMBL21583 0.76 NPC1 (0.46) MEN1KMT2ASLC40A1GAAMAPT
Metsulfuron-Methyl SCHEMBL29433235 0.76 NPC1 (0.46) MEN1KMT2ASLC40A1GAAMAPT
SCHEMBL30013512 0.76 MAPT (0.46) GAAMAPTCA1CA2CA9
Metsulfuron-Methyl SCHEMBL9136999 0.76 NPC1 (0.46) MEN1KMT2ASLC40A1GAAMAPT
SCHEMBL66269 0.76 MAPT (0.46) GAAMAPTCA1CA2CA9
SCHEMBL11002649 0.76 NPC1 (0.45) THRBGAAMAPTALDH1A1
SCHEMBL29396197 0.76 MAPT (0.46) GAAMAPTCA1CA2CA9

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-5675017-A REACTING VINY ETHER DERIVATIVE WITH HYDRZINE OR SUBSTITUTED HYDRAZINE TO FORM A CHEMICAL INTERMEDIATE, REACTING INTERMEDIATE WITH SUBSTITUTED HALIDE OR DIALKYL SULFATE MONSANTO COMPANY (US) 1997-10-07 US disclosed
US-5672715-A Herbicidal substituted 3-aryl-pyrazoles MONSANTO COMPANY (US) 1997-09-30 US disclosed