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Sugi Predict / Compounds / SCHEMBL4017788

SCHEMBL4017788

SCHEMBL4017788

Cc1cc(-c2cc(Oc3cccc(S(C)(=O)=O)c3)ccc2Cl)c2cccc(Cl)c2n1

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 18/20 0.59
▸ NR1H3 Q13133 18/20 0.59
▸ RXRA P19793 1/20 0.45
▸ NR4A2 P43354 1/20 0.41

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
SCHEMBL4013824 0.91 NR1H2 (0.56) NR1H2NR1H3RXRA
SCHEMBL4012832 0.90 NR1H2 (0.57) NR1H2NR1H3NR4A2
SCHEMBL4017110 0.89 NR1H2 (0.57) NR1H2NR1H3RXRA
SCHEMBL4011445 0.89 NR1H2 (0.59) NR1H2NR1H3RXRANR4A2
SCHEMBL4012480 0.89 NR1H2 (0.58) NR1H2NR1H3NR4A2
SCHEMBL4014828 0.88 NR1H2 (0.72) NR1H2NR1H3RXRA
SCHEMBL4012195 0.85 NR1H2 (0.45) NR1H2NR1H3NR4A2
SCHEMBL4020515 0.84 NR1H2 (0.78) NR1H2NR1H3RXRA
SCHEMBL4012431 0.82 NR1H2 (0.56) NR1H2NR1H3RXRANR4A2
SCHEMBL4016587 0.81 NR1H2 (0.49) NR1H2NR1H3NR4A2

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
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