SCHEMBL11047131

SCHEMBL11047131

COc1cc(C)nc(NC(=O)NS(=O)(=O)c2cccc3cccc(Cl)c23)n1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.45
TSHR P16473 2/20 0.45
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
NPC1 O15118 1/20 0.45
CDK1 P06493 1/20 0.44
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.39

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
SCHEMBL11043336 0.94 GAA (0.56) GAAKDM4EALDH1A1NPC1CDK1
SCHEMBL11038838 0.90 KDM4E (0.47) GAASMN1; SMN2KDM4EALDH1A1NPC1
SCHEMBL11265505 0.89 KDM4E (0.55) GAASMN1; SMN2TSHRKDM4EALDH1A1
SCHEMBL11045802 0.84 GAA (0.48) GAASMN1; SMN2TSHRCDK1KMT2A
SCHEMBL11042144 0.84 ALDH1A1 (0.53) GAASMN1; SMN2KDM4EALDH1A1NPC1
SCHEMBL11560856 0.83 GAA (0.55) GAASMN1; SMN2TSHRCDK1
SCHEMBL11043929 0.82 KDM4E (0.48) SMN1; SMN2KDM4EALDH1A1NPC1KMT2A
SCHEMBL10682282 0.82 GAA (0.50) GAASMN1; SMN2TSHRKDM4EALDH1A1
SCHEMBL11040368 0.82 ALDH1A1 (0.50) GAASMN1; SMN2KDM4EALDH1A1NPC1
SCHEMBL10454399 0.82 TSHR (0.54) GAASMN1; SMN2TSHRKDM4EALDH1A1

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
US-4370479-A PLANT GROWTH REGULATOR E. I. DU PONT DE NEMOURS AND COMPANY (US) 1983-01-25 US claimed
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
EP-0030141-B1 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) 1984-06-20 EP 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