SCHEMBL4012885

SCHEMBL4012885

CS(=O)(=O)c1ccc(Oc2ccc(Cl)c(-c3ccnc4c(C(F)(F)F)cccc34)c2)c(Cl)c1

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 20/20 0.60
NR1H2 P55055 19/20 0.60
RXRA P19793 1/20 0.60

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
SCHEMBL4012405 0.93 NR1H3 (0.58) NR1H3NR1H2RXRA
SCHEMBL4014008 0.91 NR1H2 (0.64) NR1H3NR1H2RXRA
SCHEMBL4012025 0.90 NR1H2 (0.75) NR1H3NR1H2RXRA
SCHEMBL4009417 0.84 NR1H2 (0.62) NR1H3NR1H2RXRA
SCHEMBL4009464 0.83 NR1H2 (0.57) NR1H3NR1H2RXRA
SCHEMBL4015359 0.82 NR1H2 (0.66) NR1H3NR1H2RXRA
SCHEMBL35414 0.81 NR1H2 (0.55) NR1H3NR1H2RXRA
SCHEMBL4011525 0.80 NR1H2 (0.62) NR1H3NR1H2RXRA
SCHEMBL4011829 0.80 NR1H2 (0.66) NR1H3NR1H2RXRA
SCHEMBL4010779 0.80 NR1H2 (0.66) NR1H3NR1H2RXRA

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