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Sugi Predict / Compounds / SCHEMBL4013247

SCHEMBL4013247

SCHEMBL4013247

CC(C)S(=O)(=O)c1cccc(Oc2ccc(Cl)c(-c3ccnc4c(S(C)(=O)=O)cccc34)c2)c1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 18/20 0.56
▸ NR1H3 Q13133 18/20 0.56
▸ RXRA P19793 1/20 0.47
▸ 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
SCHEMBL4011996 0.91 NR1H2 (0.66) NR1H2NR1H3RXRAPTGDR2
SCHEMBL4009472 0.89 NR1H2 (0.58) NR1H2NR1H3RXRAPTGDR2
SCHEMBL4012778 0.88 NR1H2 (0.56) NR1H2NR1H3RXRAPTGDR2
SCHEMBL4012216 0.87 NR1H2 (0.56) NR1H2NR1H3RXRAPTGDR2
SCHEMBL4013573 0.86 NR1H2 (0.74) NR1H2NR1H3RXRA
SCHEMBL4017933 0.86 NR1H2 (0.76) NR1H2NR1H3RXRA
SCHEMBL4020515 0.83 NR1H2 (0.78) NR1H2NR1H3RXRA
SCHEMBL4018729 0.83 NR1H2 (0.53) NR1H2NR1H3RXRAPTGDR2
SCHEMBL4011482 0.82 NR1H2 (0.47) NR1H2NR1H3RXRAPTGDR2
SCHEMBL4014600 0.82 NR1H3 (0.64) 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