SCHEMBL4015476

SCHEMBL4015476

O=S(=O)(Oc1cccc(-c2ccnc3c(F)cccc23)c1)C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 8/20 0.53
NR1H3 Q13133 8/20 0.53
RXRA P19793 1/20 0.53
PDE4A P27815 3/20 0.40
PDE4C Q08493 3/20 0.40
PDE4D Q08499 3/20 0.40
GLO1 Q04760 2/20 0.40
TOP2A P11388 2/20 0.40
CKS1B P61024 1/20 0.39
SKP2 Q13309 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.38
DGAT2 Q96PD7 2/20 0.36
PIK3CD O00329 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
SCHEMBL4010967 0.85 NR1H2 (0.53) NR1H2NR1H3RXRAPDE4APDE4C
SCHEMBL2379509 0.78 SLC40A1 (0.40) PDE4APDE4CPDE4D
SCHEMBL4018341 0.78 NR1H2 (0.77) NR1H2NR1H3RXRA
SCHEMBL4017522 0.76 NR1H2 (0.45) NR1H2NR1H3RXRAPDE4APDE4C
SCHEMBL16012054 0.75 MAPK14 (0.45) NR1H2NR1H3RXRA
SCHEMBL4018578 0.74 PTGDR2 (0.41) NR1H2NR1H3RXRAPDE4APDE4C
SCHEMBL4016970 0.74 NR1H3 (0.50) NR1H2NR1H3RXRAPDE4APDE4C
SCHEMBL13416088 0.74 CA1 (0.45) PDE4APDE4CPDE4D
SCHEMBL16211223 0.74 PDE4A (0.40) NR1H2NR1H3RXRAPDE4APDE4C
SCHEMBL4017722 0.73 NR1H2 (0.74) NR1H2NR1H3RXRAGLO1TOP2A

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 disclosed
WO-2008049047-A2 QUINOLINE COMPOUNDS WYETH (US) 2008-04-24 WO disclosed