SCHEMBL7795700

SCHEMBL7795700

O=S(=O)(Oc1cccc(OS(=O)(=O)C(F)(F)F)c1-c1cccc2ccccc12)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.44
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PSD A5PKW4 1/20 0.39
KDM4E B2RXH2 2/20 0.38
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
HSD17B10 Q99714 1/20 0.38
KCNQ3 O43525 2/20 0.36
KCNQ2 O43526 2/20 0.36
PTPN1 P18031 1/20 0.36
HPGD P15428 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TYMP P19971 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
SCHEMBL7795719 0.92 CA12 (0.40) DRD2ALDH1A1MEN1MAPTRAB9A
SCHEMBL3811084 0.91 MAPT (0.43) DRD2ALDH1A1MEN1MAPTRAB9A
SCHEMBL29937164 0.85 ALDH1A1 (0.46) DRD2ALDH1A1MEN1RAB9AKMT2A
SCHEMBL1056365 0.85 ALDH1A1 (0.46) DRD2ALDH1A1MEN1RAB9AKMT2A
Hydrogen Sulfide SCHEMBL27507715 0.84 ALDH1A1 (0.45) DRD2ALDH1A1MEN1RAB9AKMT2A
SCHEMBL6931868 0.84 GPR84 (0.38) DRD2ALDH1A1MEN1MAPTRAB9A
SCHEMBL29560409 0.83 MAPT (0.49) DRD2ALDH1A1MEN1MAPTRAB9A
SCHEMBL635407 0.83 MAPT (0.49) DRD2ALDH1A1MEN1MAPTRAB9A
SCHEMBL14682128 0.82 GPR84 (0.38) DRD2ALDH1A1MEN1MAPTRAB9A
SCHEMBL7788925 0.82 MAPT (0.40) DRD2ALDH1A1MEN1MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-8245551-A None JP disclosed
EP-0731105-B1 Optically active tertiary phosphine compounds, transition metal complexes comprising the same as ligands and process for preparing optically active organic silicon compounds using said transition metal complexes SUMITOMO CHEMICAL CO (JP) 2001-12-05 EP disclosed
US-5621129-A Optically active tertiary phosphine compound, transition metal complex comprising the same as ligand and process for preparing optically active organic silicon compound using said transition metal complex SUMITOMO CHEMICAL CO., LTD. (JP) 1997-04-15 US disclosed
JP-H08245551-A PRODUCTION OF OPTICALLY ACTIVE BIARYLS SUMITOMO CHEM CO LTD 1996-09-24 JP disclosed
EP-0731105-A1 Optically active tertiary phosphine compounds, transition metal complexes comprising the same as ligands and process for preparing optically active organic silicon compounds using said transition metal complexes SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-09-11 EP disclosed