SCHEMBL8794044

SCHEMBL8794044

COc1cc(C)nc(NC(=O)NS(=O)(=O)c2ccccc2C(C)=O)n1

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.52
TSHR P16473 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CDK1 P06493 1/20 0.48
THRB P10828 1/20 0.44
MAPT P10636 2/20 0.42
TP53 P04637 1/20 0.42
GLA P06280 1/20 0.42
CYP1A2 P05177 1/20 0.42
HTT P42858 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
HIF1A Q16665 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL10753795 0.93 GAA (0.59) GAACDK1MAPTTP53GLA
SCHEMBL10753263 0.92 GAA (0.50) GAATSHRSMN1; SMN2CDK1THRB
SCHEMBL9419172 0.91 GAA (0.52) GAATSHRSMN1; SMN2CDK1MAPT
SCHEMBL10506007 0.91 TSHR (0.53) GAATSHRSMN1; SMN2CDK1THRB
SCHEMBL11000201 0.90 GAA (0.47) GAATSHRTHRBALDH1A1LMNA
SCHEMBL10511740 0.89 CDK1 (0.63) GAATSHRSMN1; SMN2CDK1THRB
SCHEMBL10818539 0.89 TSHR (0.50) GAATSHRSMN1; SMN2CDK1THRB
SCHEMBL10920841 0.88 GAA (0.54) GAATSHRSMN1; SMN2CDK1THRB
SCHEMBL11560856 0.88 GAA (0.55) GAATSHRSMN1; SMN2CDK1MAPT
SCHEMBL10508580 0.87 GAA (0.47) GAATSHRSMN1; SMN2CDK1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0613618-B1 Method for safening herbicides in crops using substituted benzopyran and tetrahydronaphthalene compounds AMERICAN CYANAMID CO (US) 1997-04-16 EP claimed
EP-0613618-A1 Method for safening herbicides in crops using substituted benzopyran and tetrahydronaphthalene compounds AMERICAN CYANAMID COMPANY (US) 1994-09-07 EP claimed
US-5129949-A Herbicides for weeds that don't injure cereal crops AMERICAN CYANAMID COMPANY (US) 1992-07-14 US claimed
EP-0030139-B1 HERBICIDAL UREAS AND ISOUREAS, PREPARATION AND USE THEREOF, AND COMPOSITIONS CONTAINING THEM E.I. DU PONT DE NEMOURS AND COMPANY (US) 1984-05-23 EP claimed
EP-0030139-A2 Herbicidal ureas and isoureas, preparation and use thereof, and compositions containing them E.I. DU PONT DE NEMOURS AND COMPANY (US) 1981-06-10 EP claimed
US-5129949-A Herbicides for weeds that don't injure cereal crops AMERICAN CYANAMID COMPANY (US) 1992-07-14 US disclosed
US-4492599-A Herbicidal s-triazines E. I. DU PONT DE NEMOURS AND COMPANY (US) 1985-01-08 US disclosed
EP-0030139-B1 HERBICIDAL UREAS AND ISOUREAS, PREPARATION AND USE THEREOF, AND COMPOSITIONS CONTAINING THEM E.I. DU PONT DE NEMOURS AND COMPANY (US) 1984-05-23 EP disclosed
US-4370480-A Herbicidal ureas and isoureas E. I. DU PONT DE NEMOURS AND COMPANY (US) 1983-01-25 US disclosed
EP-0030139-A2 Herbicidal ureas and isoureas, preparation and use thereof, and compositions containing them E.I. DU PONT DE NEMOURS AND COMPANY (US) 1981-06-10 EP disclosed