SCHEMBL4011231

SCHEMBL4011231

COc1cccc2c(-c3cc(Oc4cc(F)cc(S(C)(=O)=O)c4)ccc3F)ccnc12

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 11/20 0.47
NR1H3 Q13133 11/20 0.47
RXRA P19793 1/20 0.47
SCN9A Q15858 4/20 0.40
AXL P30530 1/20 0.39
MAPK14 Q16539 2/20 0.39
PTGDR2 Q9Y5Y4 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
SCHEMBL4015147 0.92 NR1H2 (0.50) NR1H2NR1H3RXRAAXLMAPK14
SCHEMBL4010852 0.91 NR1H2 (0.56) NR1H2NR1H3RXRAAXLMAPK14
SCHEMBL4013074 0.91 NR1H2 (0.42) NR1H2NR1H3RXRASCN9AAXL
SCHEMBL4013490 0.91 NR1H2 (0.52) NR1H2NR1H3RXRASCN9AAXL
SCHEMBL4010387 0.89 NR1H2 (0.48) NR1H2NR1H3RXRAPTGDR2
SCHEMBL4011448 0.88 NR1H2 (0.62) NR1H2NR1H3RXRA
SCHEMBL4010783 0.87 NR1H2 (0.64) NR1H2NR1H3RXRA
SCHEMBL4017304 0.84 NR1H2 (0.46) NR1H2NR1H3RXRASCN9AAXL
SCHEMBL4012811 0.83 NR1H2 (0.53) NR1H2NR1H3RXRAPTGDR2
SCHEMBL4011122 0.83 NR1H2 (0.58) NR1H2NR1H3RXRASCN9AAXL

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