SCHEMBL4010967

SCHEMBL4010967

COc1cccc2c(-c3cccc(OS(=O)(=O)C(F)(F)F)c3)ccnc12

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 8/20 0.53
NR1H3 Q13133 8/20 0.53
RXRA P19793 1/20 0.53
GLO1 Q04760 1/20 0.45
HTR1A P08908 2/20 0.41
ADRA1D P25100 2/20 0.41
ADRA1A P35348 2/20 0.41
ADRA1B P35368 2/20 0.41
PDE4A P27815 2/20 0.41
PDE4C Q08493 2/20 0.41
PDE4D Q08499 2/20 0.41
PDE4B Q07343 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
DGAT2 Q96PD7 2/20 0.41
ACACA Q13085 1/20 0.39
CKS1B P61024 1/20 0.39
SKP2 Q13309 1/20 0.39
TOP2A P11388 1/20 0.38
SLC40A1 Q9NP59 1/20 0.38

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
SCHEMBL4015476 0.85 NR1H2 (0.53) NR1H2NR1H3RXRAGLO1PDE4A
SCHEMBL4018578 0.85 PTGDR2 (0.41) NR1H2NR1H3RXRAHTR1AADRA1D
SCHEMBL4013386 0.84 PTGDR2 (0.39) NR1H2NR1H3RXRAGLO1HTR1A
SCHEMBL4019328 0.79 NR1H2 (0.75) NR1H2NR1H3RXRAGLO1
SCHEMBL4011085 0.78 NR1H2 (0.60) NR1H2NR1H3RXRAGLO1HTR1A
SCHEMBL4011474 0.77 NR1H2 (0.74) NR1H2NR1H3RXRAGLO1HTR1A
SCHEMBL4011448 0.77 NR1H2 (0.62) NR1H2NR1H3RXRAGLO1
SCHEMBL4013993 0.76 NR1H2 (0.68) NR1H2NR1H3RXRAHTR1AADRA1D
SCHEMBL4012502 0.75 NR1H2 (0.53) NR1H2NR1H3RXRAGLO1PTGDR2
SCHEMBL4013567 0.74 PIK3CD (0.57) HTR1AADRA1DADRA1AADRA1BPTGDR2

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