SCHEMBL4010387

SCHEMBL4010387

CS(=O)(=O)c1cc(F)cc(Oc2ccc(F)c(-c3ccnc4c(S(C)(=O)=O)cccc34)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 16/20 0.48
NR1H3 Q13133 16/20 0.48
RXRA P19793 1/20 0.48
PTGDR2 Q9Y5Y4 1/20 0.39
GCK P35557 1/20 0.35
CKS1B P61024 1/20 0.34
SKP2 Q13309 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
SCHEMBL4012903 0.93 NR1H2 (0.44) NR1H2NR1H3RXRAPTGDR2GCK
SCHEMBL4012970 0.91 NR1H2 (0.52) NR1H2NR1H3RXRAPTGDR2GCK
SCHEMBL4011973 0.91 NR1H2 (0.58) NR1H2NR1H3RXRAPTGDR2
SCHEMBL4018729 0.90 NR1H2 (0.53) NR1H2NR1H3RXRAPTGDR2
SCHEMBL4011231 0.89 NR1H2 (0.47) NR1H2NR1H3RXRAPTGDR2
SCHEMBL4010783 0.89 NR1H2 (0.64) NR1H2NR1H3RXRA
SCHEMBL4012157 0.87 NR1H2 (0.64) NR1H2NR1H3RXRA
SCHEMBL4017675 0.85 NR1H2 (0.50) NR1H2NR1H3RXRAPTGDR2
SCHEMBL4009472 0.85 NR1H2 (0.58) NR1H2NR1H3RXRAPTGDR2
SCHEMBL4010862 0.83 NR1H2 (0.48) NR1H2NR1H3RXRAPTGDR2

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