SCHEMBL4016602

SCHEMBL4016602

CS(=O)(=O)c1cccc(Oc2ccc(Cl)c(-c3c(C(N)=O)cnc4c(F)cccc34)c2)c1

nearest known ligand 0.77

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 19/20 0.77
NR1H3 Q13133 17/20 0.77
PDE4B Q07343 1/20 0.48

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
SCHEMBL4017156 0.92 NR1H2 (0.65) NR1H2NR1H3
SCHEMBL4011992 0.87 NR1H2 (1.00) NR1H2NR1H3
SCHEMBL4011014 0.87 NR1H2 (0.66) NR1H2NR1H3PDE4B
SCHEMBL4013060 0.81 NR1H2 (1.00) NR1H2NR1H3
SCHEMBL4017772 0.80 NR1H2 (0.65) NR1H2NR1H3
SCHEMBL4014291 0.77 NR1H2 (1.00) NR1H2NR1H3
SCHEMBL4017443 0.76 NR1H2 (1.00) NR1H2NR1H3
SCHEMBL16559589 0.76 NR1H2 (0.78) NR1H2NR1H3
SCHEMBL4018750 0.76 NR1H2 (0.88) NR1H2NR1H3
SCHEMBL4010657 0.75 NR1H2 (0.81) NR1H2NR1H3

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