SCHEMBL10754353

SCHEMBL10754353

Cc1cc(C)nc(NC(=O)NS(=O)(=O)c2ccsc2C(=O)O)n1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 3/20 0.47
ALOX15 P16050 1/20 0.46
GAA P10253 1/20 0.45
LMNA P02545 2/20 0.45
TSHR P16473 2/20 0.44
MEN1 O00255 1/20 0.44
CYP3A4 P08684 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 1/20 0.44
FABP4 P15090 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL10758244 0.90 GAA (0.50) EDNRAALOX15GAALMNATSHR
SCHEMBL10759398 0.89 EDNRA (0.48) EDNRALMNATSHRMEN1CYP3A4
SCHEMBL10754167 0.88 EDNRA (0.49) EDNRAALOX15GAAMEN1KMT2A
SCHEMBL10565968 0.88 EDNRA (0.40) EDNRAALOX15GAALMNATSHR
SCHEMBL10752931 0.85 GAA (0.57) EDNRAGAALMNATSHRMEN1
SCHEMBL9669572 0.83 EDNRA (0.43) EDNRAGAALMNATSHRMEN1
SCHEMBL10740737 0.83 GAA (0.45) ALOX15GAALMNATSHRNPSR1
SCHEMBL29397121 0.82 EDNRA (0.43) EDNRAGAALMNATSHRMEN1
SCHEMBL65522 0.82 EDNRA (0.43) EDNRAGAALMNATSHRMEN1
SCHEMBL9715135 0.82 EDNRA (0.43) EDNRAGAALMNATSHRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0030142-B1 HERBICIDAL UREAS, PREPARATION, COMPOSITIONS AND USE THEREOF E.I. DU PONT DE NEMOURS AND COMPANY (US) 1984-12-05 EP claimed
EP-0030142-A2 Herbicidal ureas, preparation, compositions and use thereof E.I. DU PONT DE NEMOURS AND COMPANY (US) 1981-06-10 EP claimed
US-4701535-A CHEMICAL INTERMEDIATES FOR HERBICIDES, PLANT GROWTH REGULATOR E. I. DU PONT DE NEMOURS AND COMPANY (US) 1987-10-20 US disclosed
US-4599103-A PRE-AND POSTEMERGENCE HERBICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1986-07-08 US disclosed
EP-0030142-B1 HERBICIDAL UREAS, PREPARATION, COMPOSITIONS AND USE THEREOF E.I. DU PONT DE NEMOURS AND COMPANY (US) 1984-12-05 EP disclosed
US-4481029-A HERBICIDES, PLANT GROWTH REGULATORS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1984-11-06 US disclosed
EP-0030142-A2 Herbicidal ureas, preparation, compositions and use thereof E.I. DU PONT DE NEMOURS AND COMPANY (US) 1981-06-10 EP disclosed