SCHEMBL4010900

SCHEMBL4010900

CC(C)S(=O)(=O)c1ccc(-c2cccc(-c3ccnc4c(C(F)(F)F)cccc34)c2)s1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 16/20 0.62
NR1H3 Q13133 15/20 0.62
RXRA P19793 1/20 0.52
PPARG P37231 1/20 0.42
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.38
TOP2A P11388 1/20 0.38

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
SCHEMBL4013387 0.89 NR1H2 (0.69) NR1H2NR1H3RXRAPPARGCA12
SCHEMBL4013524 0.88 NR1H2 (0.62) NR1H2NR1H3RXRAPPARGCA12
SCHEMBL4011929 0.87 NR1H2 (0.70) NR1H2NR1H3RXRAPPARGCA12
SCHEMBL4012992 0.83 NR1H2 (0.79) NR1H2NR1H3RXRAPPARG
SCHEMBL4013108 0.82 NR1H2 (0.64) NR1H2NR1H3
SCHEMBL4014663 0.77 NR1H2 (1.00) NR1H2NR1H3RXRA
SCHEMBL27786968 0.76 NR1H2 (0.56) NR1H2NR1H3RXRAPPARGPTGDR2
SCHEMBL4017704 0.76 NR1H2 (0.87) NR1H2NR1H3RXRA
SCHEMBL4012330 0.76 NR1H2 (0.76) NR1H2NR1H3RXRA
SCHEMBL4012168 0.75 NR1H2 (1.00) NR1H2NR1H3RXRA

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-2074098-A2 QUINOLINE COMPOUNDS Wyeth (US) 2009-07-01 EP claimed
WO-2008049047-A2 QUINOLINE COMPOUNDS WYETH (US) 2008-04-24 WO claimed
EP-2074098-A2 QUINOLINE COMPOUNDS Wyeth (US) 2009-07-01 EP disclosed
WO-2008049047-A2 QUINOLINE COMPOUNDS WYETH (US) 2008-04-24 WO disclosed