SCHEMBL536990

SCHEMBL536990

CCc1c(S(C)(=O)=O)n(C2CC2)c2c(OC(F)F)c(F)c(F)cc2c1=O

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.30
TOP2B Q02880 1/20 0.30

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
SCHEMBL730034 0.84 ADRB2 (0.37)
SCHEMBL4294692 0.73 ADRB2 (0.39) TOP2ATOP2B
SCHEMBL729612 0.73 ADRB2 (0.39)
SCHEMBL6671328 0.71 EEF2K (0.35) TOP2ATOP2B
SCHEMBL731267 0.71 ADRB2 (0.40) TOP2ATOP2B
SCHEMBL2676613 0.71 KCNH2 (0.38)
SCHEMBL4300362 0.69 TOP2A (0.39) TOP2ATOP2B
SCHEMBL727962 0.69 KCNH2 (0.38)
SCHEMBL727961 0.69 KCNH2 (0.38)
SCHEMBL1984659 0.68 ADRB2 (0.58) TOP2ATOP2B

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
EP-2414368-A2 HYDROXYTHIENOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS Achillion Pharmaceuticals, Inc. (US) 2012-02-08 EP disclosed
WO-2010115184-A2 HYDROXYTHIENOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS ACHILLION PHARMACEUTICALS, INC. (US) 2010-10-07 WO disclosed