SCHEMBL7577787

SCHEMBL7577787

C[n+]1ccc(-c2ccccc2)cc1.F[B-](F)(F)F

nearest known ligand 0.85

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC22A2 O15244 1/20 0.85
SLC22A1 O15245 1/20 0.85
SLC22A3 O75751 1/20 0.85
SLC6A4 P31645 1/20 0.85
CHAT P28329 2/20 0.48
PABPC1 P11940 1/20 0.48
APOBEC3A P31941 1/20 0.48
EIF4H Q15056 1/20 0.48
APOBEC3G Q9HC16 1/20 0.48
ACHE P22303 1/20 0.45
ALDH1A1 P00352 1/20 0.45
QDPR P09417 2/20 0.43

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
Paraquat SCHEMBL3135897 0.92 SLC22A2 (0.70) SLC22A2SLC22A1SLC22A3SLC6A4PABPC1
SCHEMBL37321 0.92 SLC22A2 (1.00) SLC22A2SLC22A1SLC22A3SLC6A4CHAT
SCHEMBL8827505 0.92 SLC22A2 (1.00) SLC22A2SLC22A1SLC22A3SLC6A4CHAT
Hydrochloric Acid SCHEMBL30020113 0.90 SLC22A2 (0.94) SLC22A2SLC22A1SLC22A3SLC6A4CHAT
Iodide SCHEMBL2203363 0.90 SLC6A4 (0.94) SLC22A2SLC22A1SLC22A3SLC6A4CHAT
Hydrochloric Acid SCHEMBL163494 0.90 SLC22A2 (0.94) SLC22A2SLC22A1SLC22A3SLC6A4CHAT
Iodide SCHEMBL31621372 0.87 SLC6A4 (0.90) SLC22A2SLC22A1SLC22A3SLC6A4CHAT
Iodide SCHEMBL31621363 0.87 SLC6A4 (0.90) SLC22A2SLC22A1SLC22A3SLC6A4CHAT
Paraquat SCHEMBL4895671 0.81 SLC6A4 (0.77) SLC22A2SLC22A1SLC22A3SLC6A4PABPC1
Paraquat SCHEMBL21652 0.81 SLC6A4 (0.77) SLC22A2SLC22A1SLC22A3SLC6A4PABPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0795790-B1 Peel-developable lithographic printing plate KODAK POLYCHROME GRAPHICS LLC (US) 2002-09-25 EP disclosed
EP-0730201-B1 Sensitized photopolymerizable compositions and use thereof in lithographic printing plates KODAK POLYCHROME GRAPHICS LLC (US) 2001-05-09 EP disclosed
US-5888700-A NONFOGGING, SHELF LIFE KODAK POLYCHROME GRPAHICS, LLC (US) 1999-03-30 US disclosed
EP-0795790-A2 Peel-developable lithographic printing plate EASTMAN KODAK COMPANY (US) 1997-09-17 EP disclosed
US-5629354-A Photopolymerization initiator system comprising a spectral sensitizer and a polycarboxylic acid co-initiator EASTMAN KODAK COMPANY (US) 1997-05-13 US disclosed
EP-0730201-A1 Sensitized photopolymerizable compositions and use thereof in lithographic printing plates EASTMAN KODAK COMPANY (US) 1996-09-04 EP disclosed