SCHEMBL9675693

SCHEMBL9675693

O=S(=O)(OOC(COCc1ccccc1)COCc1ccccc1)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.43
TSHR P16473 1/20 0.41
CA2 P00918 5/20 0.41
CA9 Q16790 4/20 0.41
CA7 P43166 3/20 0.41
TACR1 P25103 5/20 0.40
SLC1A1 P43005 1/20 0.38
CA4 P22748 1/20 0.38
CACNA1F O60840 1/20 0.38
CACNA1D Q01668 1/20 0.38
CACNA1S Q13698 1/20 0.38
CACNA1C Q13936 1/20 0.38
MAPK1 P28482 1/20 0.37
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CTSS P25774 1/20 0.36
TDP1 Q9NUW8 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
SCHEMBL30741856 0.77 CA2 (0.45) CA1TSHRCA2CA9CA7
SCHEMBL12012235 0.76 CA2 (0.44) CA1TSHRCA2CA9CA7
SCHEMBL12012234 0.76 CA2 (0.44) CA1TSHRCA2CA9CA7
SCHEMBL19713389 0.76 CA2 (0.44) CA1TSHRCA2CA9CA7
SCHEMBL18186635 0.74 TSHR (0.47) CA1TSHRCA2CA9CA7
SCHEMBL10447860 0.74 CA1 (0.50) CA1TSHRCA2CA9CA7
SCHEMBL29026408 0.74 SLC1A1 (0.46) CA1TSHRCA2CA9CA7
SCHEMBL18771517 0.73 CA1 (0.43) CA1TSHRCA2CA9CA7
SCHEMBL8935885 0.72 MAPK1 (0.58) CA1MAPK1TDP1
SCHEMBL29097240 0.71 CA1 (0.42) CA1CA2CA9CA7SLC1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5108994-A Synergistic with interferon; herpes virus BEECHAM GROUP P.L.C. (GB) 1992-04-28 US disclosed
EP-0399743-A1 Phosphonomethylthio-alkoseypureine derivatives, intermediate products for their preparation and pharmaceutical compositions containing them BEECHAM GROUP PLC (GB) 1990-11-28 EP disclosed