SCHEMBL11041308

SCHEMBL11041308

COc1nc(NC(=O)NS(=O)(=O)c2c(Cl)ccc3ccccc23)nc2c1CCO2

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 1/20 0.38
EDNRA P25101 1/20 0.38
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
GAA P10253 1/20 0.33
CYP1A2 P05177 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HTT P42858 1/20 0.32
SCN9A Q15858 1/20 0.31
NLRP3 Q96P20 1/20 0.31
ABL1 P00519 1/20 0.31
TRPV1 Q8NER1 1/20 0.31

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
SCHEMBL11047117 0.88 ALDH1A1 (0.35) ALDH1A1KDM4ENPC1CYP1A2SMN1; SMN2
SCHEMBL11042703 0.81 KDM4E (0.41) EDNRBEDNRAALDH1A1KDM4ENPC1
SCHEMBL11045417 0.79 ALDH1A1 (0.45) ALDH1A1KDM4ENPC1GAASMN1; SMN2
SCHEMBL11282581 0.78 EDNRB (0.42) EDNRBEDNRAALDH1A1KDM4ENPC1
SCHEMBL11041517 0.78 GAA (0.55) ALDH1A1KDM4ENPC1GAACYP1A2
SCHEMBL11291121 0.78 EDNRB (0.39) EDNRBEDNRAALDH1A1KDM4ENPC1
SCHEMBL11291123 0.77 EDNRB (0.41) EDNRBEDNRAALDH1A1KDM4ENPC1
SCHEMBL11043115 0.76 ALDH1A1 (0.43) ALDH1A1KDM4ENPC1GAASMN1; SMN2
SCHEMBL11042105 0.76 ALDH1A1 (0.41) ALDH1A1KDM4ENPC1GAASMN1; SMN2
SCHEMBL10847421 0.75 EDNRB (0.37) EDNRBEDNRAALDH1A1KDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0030141-A2 Herbicidal ureas and isoureas, preparation, compositions and use thereof, intermediates therefor and preparation of said intermediates E.I. DU PONT DE NEMOURS AND COMPANY (US) 1981-06-10 EP claimed
US-4460404-A HERBICIDES PLANT GROWTH REGULATORS E. I. DUPONT DE NEMOURS AND COMPANY (US) 1984-07-17 US disclosed
US-4452627-A HERBICIDE, PLANT GROWTH REGULATOR E. I. DU PONT DE NEMOURS AND COMPANY (US) 1984-06-05 US disclosed
US-4370479-A PLANT GROWTH REGULATOR E. I. DU PONT DE NEMOURS AND COMPANY (US) 1983-01-25 US disclosed
EP-0030141-A2 Herbicidal ureas and isoureas, preparation, compositions and use thereof, intermediates therefor and preparation of said intermediates E.I. DU PONT DE NEMOURS AND COMPANY (US) 1981-06-10 EP disclosed