SCHEMBL8302828

SCHEMBL8302828

COc1cc(Cl)nc(NC(=O)c2cccc(C(=O)O)c2S(N)(=O)=O)n1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
TP53 P04637 1/20 0.42
GLA P06280 1/20 0.42
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP1A2 P05177 1/20 0.39
SORT1 Q99523 3/20 0.39
MEN1 O00255 2/20 0.38
NPC1 O15118 1/20 0.38
GAA P10253 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36

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
SCHEMBL10620267 0.82 CYP1A2 (0.46) MAPTTP53GLAKMT2ACYP1A2
SCHEMBL8474488 0.81 CYP1A2 (0.45) MAPTTP53GLAKMT2ASMN1; SMN2
SCHEMBL8834771 0.80 KMT2A (0.51) MAPTKMT2ASORT1MEN1NPC1
SCHEMBL4263310 0.79 SMN1; SMN2 (0.49) MAPTTP53KMT2AALDH1A1SMN1; SMN2
SCHEMBL8803698 0.76 GAA (0.47) MAPTTP53GLAALDH1A1SMN1; SMN2
SCHEMBL8875937 0.76 GAA (0.42) MAPTTP53GLAKMT2ASMN1; SMN2
SCHEMBL29371340 0.74 GAA (0.52) MAPTTP53GLAKMT2AALDH1A1
SCHEMBL119097 0.74 GAA (0.52) MAPTTP53GLAKMT2AALDH1A1
SCHEMBL10984018 0.74 GAA (0.60) MAPTTP53GLAKMT2ASMN1; SMN2
SCHEMBL8427188 0.74 KMT2A (0.52) MAPTKMT2AMEN1NPC1GAA

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
US-5883044-A Herbicidal method utilizing phosphosulfonate herbicides and oxime ether safeners ROHM AND HAAS COMPANY (US) 1999-03-16 US disclosed
US-H1785-H PRE- AND POST-EMERGENCE HERBICIDE FMC CORPORATION (US) 1999-02-02 US disclosed
US-5866513-A Aryl-substituted cycloalkanes and cycloalkenes and herbicidal use thereof ROHM AND HAAS COMPANY (US) 1999-02-02 US disclosed
US-5861359-A WHEAT, SOYBEANS, CORN; PRE- AND POSTEMERGENCE HERBICIDES FMC CORPORATION (US) 1999-01-19 US disclosed
US-H1759-H NEW HERBICIDE MOLECULAR COMPRISING A RING SELECT FROM THE GROUP OF PYRIMIDINE, TRIAZOLE, PYRAZOLE, ISOINDOLE, THIADIAZOLO(3,4-A)PYRIDAZINE, TRIAZINE(1,2,4), INDAZOLE, TETRAZOLE, TRIAZOLE(4,3-A)PYRIDINE FMC CORPORATION (US) 1998-11-03 US disclosed
US-5753595-A Herbicidal 3-(substituted benzoxazol-7-yl) and 3-(Substituted benzothiazol-7-yl)-1-substituted-6-trifluoromethyl-2 4-(1h 3h)pyrimidinediones FMC CORPORATION (US) 1998-05-19 US disclosed
US-5733849-A Halopyridyl triazolinone herbicides and herbicidal use thereof ROHM AND HAAS COMPANY (US) 1998-03-31 US disclosed
US-5726124-A IN MIXTURE WITH OTHER HERBICIDES, ALKYLATION AND ETHERIFICATION OF PYRIMIDINONE AND THIOPYRIMIDINONE COMPOUNDS ROHM AND HAAS COMPANY (US) 1998-03-10 US disclosed
US-5693590-A PLANT GROWTH REGULATOR ROHM AND HAAS COMPANY (US) 1997-12-02 US disclosed
US-5683966-A Herbicidal 3-(substituted-benzyl)-1-methyl-6-trifluoromethyluracils FMC CORPORATION (US) 1997-11-04 US disclosed
US-5674810-A MIXTURE OF TWO HERBICIDES WITH DIFFERENT STRUCTURES, CARRIER FMC CORPORATION (US) 1997-10-07 US disclosed
US-5502027-A ALGICIDES ROHM AND HAAS COMPANY (US) 1996-03-26 US disclosed