SCHEMBL9713577

SCHEMBL9713577

Cc1ccc(S(=O)(=O)OCCOc2ccc(Oc3cc(F)cc(F)c3)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA9 Q16790 1/20 0.53
CKS1B P61024 1/20 0.43
SKP2 Q13309 1/20 0.43
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CACNA1H O95180 2/20 0.40
CACNA1B Q00975 2/20 0.40
FFAR1 O14842 2/20 0.39
FFAR4 Q5NUL3 1/20 0.39
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39
CASP3 P42574 2/20 0.38
CASP7 P55210 2/20 0.38
SOS1 Q07889 1/20 0.37
MMP2 P08253 1/20 0.37

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
SCHEMBL8780766 0.86 CA12 (0.56) CA12CA1CA9TDP1L3MBTL1
SCHEMBL8069545 0.85 CA12 (0.63) CA12CA1CA9HTTSMN1; SMN2
SCHEMBL9523402 0.84 HTT (0.60) CA12CA1CA9HTTSMN1; SMN2
SCHEMBL5377371 0.80 CA12 (0.61) CA12CA1CA9L3MBTL1CASP3
SCHEMBL7428076 0.80 DRD2 (0.54) CA12CA1CA9CACNA1HCACNA1B
SCHEMBL10346036 0.79 CA12 (0.57) CA12CA1CA9SMN1; SMN2TDP1
SCHEMBL5638579 0.79 CA12 (0.57) CA12CA1CA9HTTSMN1; SMN2
SCHEMBL31133367 0.79 CA12 (0.47) CA12CA1CA9L3MBTL1
SCHEMBL21818250 0.79 CA12 (0.47) CA12CA1CA9L3MBTL1
SCHEMBL1332078 0.78 CA12 (0.56) CA12CA1CA9TDP1L3MBTL1

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
EP-0246713-B1 INTERMEDIATES FOR THE PRODUCTION OF NITROGEN-CONTAINING SUBSTITUTED HETEROCYCLIC COMPOUNDS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-03-04 EP disclosed
US-4970222-A INSECTICIDE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1990-11-13 US disclosed
US-4879292-A Certain-phenoxy-phenoxy-alkylene-oxy-pyrimidines or symmetrical triazines, thio-analogues thereof, having insecticidal activity SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1989-11-07 US disclosed
EP-0128648-B1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS, AND THEIR PRODUCTION AND USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1988-08-17 EP disclosed
US-4751225-A Certain 2-pyridyloxy-lower alkylene-oxy-phenoxy compounds, thio-and methylene analogues having insecticidal properties SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1988-06-14 US disclosed
EP-0246713-A2 Intermediates for the production of nitrogen-containing substituted heterocyclic compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1987-11-25 EP disclosed
EP-0128648-A1 Nitrogen-containing heterocyclic compounds, and their production and use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-12-19 EP disclosed