SCHEMBL4017304

SCHEMBL4017304

CCS(=O)(=O)c1cccc(Oc2ccc(F)c(-c3ccnc4c(OC)cccc34)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 11/20 0.46
NR1H3 Q13133 11/20 0.46
RXRA P19793 1/20 0.46
FLT1 P17948 1/20 0.40
FLT4 P35916 1/20 0.40
KDR P35968 1/20 0.40
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 2/20 0.39
NPC1 O15118 2/20 0.39
MAPT P10636 2/20 0.39
HTT P42858 2/20 0.39
RAB9A P51151 2/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
MITF O75030 1/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39
PAX8 Q06710 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39

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
SCHEMBL4013074 0.92 NR1H2 (0.42) NR1H2NR1H3RXRAFLT1FLT4
SCHEMBL4010852 0.90 NR1H2 (0.56) NR1H2NR1H3RXRAFLT1KDR
SCHEMBL4010720 0.89 NR1H2 (0.52) NR1H2NR1H3RXRAFLT1FLT4
SCHEMBL4011122 0.88 NR1H2 (0.58) NR1H2NR1H3RXRAPTGDR2HTR1A
SCHEMBL4017675 0.86 NR1H2 (0.50) NR1H2NR1H3RXRAPTGDR2
SCHEMBL4017707 0.86 NR1H2 (0.63) NR1H2NR1H3RXRA
SCHEMBL4011085 0.86 NR1H2 (0.60) NR1H2NR1H3RXRAFLT1FLT4
SCHEMBL4011231 0.84 NR1H2 (0.47) NR1H2NR1H3RXRAPTGDR2AXL
SCHEMBL4015147 0.83 NR1H2 (0.50) NR1H2NR1H3RXRAPTGDR2AXL
SCHEMBL4014203 0.83 NR1H2 (0.44) NR1H2NR1H3RXRAFLT1FLT4

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