SCHEMBL8380205

SCHEMBL8380205

COc1cc(OC)nc(NC(=O)NS(=O)(=O)Nc2ccccc2C(C)=O)n1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.51
CYP1A2 P05177 1/20 0.47
MAPT P10636 2/20 0.46
TP53 P04637 1/20 0.46
GLA P06280 1/20 0.46
CDK1 P06493 1/20 0.43
KMT2A Q03164 2/20 0.42
ALOX15 P16050 1/20 0.41
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPK1 P28482 1/20 0.40
HDAC1 Q13547 1/20 0.39
HTT P42858 1/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RAB9A P51151 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
SCHEMBL1013413 0.94 TSHR (0.48) GAACYP1A2MAPTTP53GLA
SCHEMBL8535695 0.91 GAA (0.51) GAACYP1A2MAPTTP53GLA
SCHEMBL7808085 0.90 GAA (0.50) GAACYP1A2MAPTTP53GLA
SCHEMBL7813210 0.89 GAA (0.49) GAACYP1A2MAPTTP53GLA
SCHEMBL29878397 0.88 CDK1 (0.55) GAACYP1A2MAPTTP53GLA
SCHEMBL116126 0.88 CDK1 (0.55) GAACYP1A2MAPTTP53GLA
SCHEMBL1012916 0.88 GAA (0.48) GAACYP1A2MAPTTP53GLA
SCHEMBL7808110 0.88 GAA (0.48) GAACYP1A2MAPTTP53GLA
SCHEMBL53468 0.87 GAA (0.47) GAACYP1A2MAPTTP53GLA
SCHEMBL29510603 0.87 GAA (0.47) GAACYP1A2MAPTTP53GLA

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 12 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
US-5407897-A Plant safening agents AMERICAN CYANAMID COMPANY (US) 1995-04-18 US 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
EP-0716073-B1 Process for safening herbicides in cereal crops using 5-aryloxy-1,2-(disubstituted) benzene compounds AMERICAN CYANAMID CO (US) 1999-03-31 EP disclosed
US-5696050-A APPLYING TO CROP PLANT, SEED OR SURROUNDING SOIL OR WATER ANTIDOTAL AMOUNT OF PLANT SAFENING AGENT AMERICAN CYANAMID COMPANY (US) 1997-12-09 US disclosed
EP-0613618-B1 Method for safening herbicides in crops using substituted benzopyran and tetrahydronaphthalene compounds AMERICAN CYANAMID CO (US) 1997-04-16 EP disclosed
US-5596124-A FOR USE WITH CEREAL CROPS AMERICAN CYANAMID COMPANY (US) 1997-01-21 US disclosed
EP-0716073-A1 Process for safening herbicides in cereal crops using 5-aryloxy-1,2-(disubstituted) benzene compounds American Cyanamid Company (US) 1996-06-12 EP disclosed
US-5516918-A PLANT SAFTENING AGENTS USING BENZOPYRAN-4-ACETIC ACIDS OR BENZOTHIOPYRAN-4-ACETIC ACIDS AMERICAN CYANAMID COMPANY (US) 1996-05-14 US disclosed
US-5407897-A Plant safening agents AMERICAN CYANAMID COMPANY (US) 1995-04-18 US disclosed
EP-0613618-A1 Method for safening herbicides in crops using substituted benzopyran and tetrahydronaphthalene compounds AMERICAN CYANAMID COMPANY (US) 1994-09-07 EP disclosed
US-5280007-A Using 1-(a,a-dimethylbenzyl)-3-p-tolyurea and s-(1-methyl-1-phenylethyl-1-piperidinecarbothioate AMERICAN CYANAMID COMPANY (US) 1994-01-18 US disclosed