SCHEMBL4014203

SCHEMBL4014203

CCS(=O)(=O)c1cc(F)cc(Oc2ccc(Cl)c(-c3ccnc4c(OC)cccc34)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 9/20 0.44
NR1H3 Q13133 9/20 0.44
RXRA P19793 1/20 0.39
SCN9A Q15858 3/20 0.38
AXL P30530 2/20 0.37
FLT1 P17948 2/20 0.37
FLT4 P35916 2/20 0.37
KDR P35968 2/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36
HTR1A P08908 1/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
MAPK14 Q16539 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
MITF O75030 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL4013490 0.91 NR1H2 (0.52) NR1H2NR1H3RXRASCN9AAXL
SCHEMBL4013074 0.91 NR1H2 (0.42) NR1H2NR1H3RXRASCN9AAXL
SCHEMBL4010720 0.90 NR1H2 (0.52) NR1H2NR1H3RXRAFLT1FLT4
SCHEMBL4010862 0.88 NR1H2 (0.48) NR1H2NR1H3RXRAPTGDR2
SCHEMBL4012502 0.86 NR1H2 (0.53) NR1H2NR1H3RXRASCN9AFLT1
SCHEMBL27787059 0.85 NR1H2 (0.42) NR1H2NR1H3RXRAMAPK14
SCHEMBL4017304 0.83 NR1H2 (0.46) NR1H2NR1H3RXRASCN9AAXL
SCHEMBL4011491 0.82 NR1H2 (0.64) NR1H2NR1H3RXRAFLT1KDR
SCHEMBL4012811 0.82 NR1H2 (0.53) NR1H2NR1H3RXRAPTGDR2HTR1A
SCHEMBL4011231 0.82 NR1H2 (0.47) NR1H2NR1H3RXRASCN9AAXL

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