SCHEMBL6566337

SCHEMBL6566337

C[S+](C)c1cccc2c(OS(=O)(=O)C(F)(F)F)cccc12

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 11/20 0.38
DRD3 P35462 8/20 0.38
DRD4 P21917 6/20 0.38
HTR5A P47898 1/20 0.38
MEN1 O00255 2/20 0.38
ESR1 P03372 2/20 0.38
GAA P10253 2/20 0.38
KMT2A Q03164 2/20 0.38
ESR2 Q92731 2/20 0.38
DRD1 P21728 4/20 0.37
DRD5 P21918 4/20 0.37
HTR1D P28221 2/20 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
SCHEMBL36125 0.91 DRD2 (0.34) DRD2DRD3DRD4HTR5AMEN1
SCHEMBL203899 0.85 MEN1 (0.42) DRD2DRD3DRD4HTR5AMEN1
SCHEMBL29706003 0.85 MEN1 (0.42) DRD2DRD3DRD4HTR5AMEN1
SCHEMBL12476299 0.81 MEN1 (0.41) DRD2DRD3DRD4HTR5AMEN1
SCHEMBL15307384 0.81 MEN1 (0.41) DRD2DRD3DRD4HTR5AMEN1
SCHEMBL9999646 0.80 MEN1 (0.49) DRD2DRD3DRD4HTR5AMEN1
SCHEMBL6566361 0.78 HSD11B1 (0.41) DRD2DRD3DRD4GAADRD1
SCHEMBL6851155 0.78 MEN1 (0.38) DRD2DRD3DRD4HTR5AMEN1
SCHEMBL3222252 0.78 ESR1 (0.55) DRD2DRD3DRD4HTR5AMEN1
SCHEMBL3106273 0.77 CA1 (0.30)

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
EP-0849634-B1 Radiation sensitive resin composition JSR CORP (JP) 2004-03-31 EP disclosed
US-6322949-B2 SULFONIUM COMPOUND AS PHOTOACID GENERATOR JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 2001-11-27 US disclosed
US-20010014427-A1 Radiation sensitive resin composition JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 2001-08-16 US disclosed
US-6187504-B1 PHOTOSENSITIVE BLEND CONTAINING A NAPHTHALENE SULFONIUM SULFONATE DERIVATIVE PHOTOACID GENERATOR, RESIN HAVING ALKALI INSOLUBLE GROUPS CLEAVABLE BY ACID, AN ALKALI SOLUBLE RESIN AND A SOLUBILITY CONTROL AGENT; POSITIVES, RESOLUTION JSR CORPORATION (JP) 2001-02-13 US disclosed
EP-0849634-A1 Radiation sensitive resin composition JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1998-06-24 EP disclosed