SCHEMBL6564023

SCHEMBL6564023

C[S+](C)c1cccc2cc(OS(=O)(=O)C(F)(F)F)ccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
HTR1A P08908 4/20 0.37
HTR1D P28221 4/20 0.37
HTR1B P28222 4/20 0.37
CA9 Q16790 1/20 0.36
PPARG P37231 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
DRD2 P14416 1/20 0.34
DRD1 P21728 1/20 0.34
DRD4 P21917 1/20 0.34
DRD5 P21918 1/20 0.34
DRD3 P35462 1/20 0.34

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
SCHEMBL6566361 0.89 HSD11B1 (0.41) HSD11B1CA1CA2HTR1AHTR1D
SCHEMBL3110652 0.80 HTR1A (0.42) HSD11B1CA1CA2HTR1AHTR1D
SCHEMBL30203278 0.79 ALDH1A1 (0.44) HSD11B1CA1CA2LMNAHTT
SCHEMBL6101788 0.79 ALDH1A1 (0.44) HSD11B1CA1CA2LMNAHTT
SCHEMBL34471894 0.78 CA1 (0.43) HSD11B1CA1CA2HTR1AHTR1D
SCHEMBL6808166 0.78 CA1 (0.43) HSD11B1CA1CA2HTR1AHTR1D
SCHEMBL6808137 0.78 HTR1D (0.41) HSD11B1CA1CA2HTR1AHTR1D
SCHEMBL2605467 0.76 PPARG (0.41) HSD11B1CA1CA2HTR1AHTR1D
SCHEMBL12074743 0.76 PPARG (0.44) HSD11B1CA1CA2CA9PPARG
SCHEMBL6566337 0.75 DRD2 (0.38) HTR1DDRD2DRD1DRD4DRD5

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 4 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-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