SCHEMBL4013024

SCHEMBL4013024

CCS(=O)(=O)c1cc(F)cc(Oc2ccc(Cl)c(-c3cc(C)nc4c(C(F)(F)F)cccc34)c2)c1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 20/20 0.56
NR1H3 Q13133 20/20 0.56
RXRA P19793 1/20 0.40

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
SCHEMBL4018710 0.91 NR1H2 (0.55) NR1H2NR1H3RXRA
SCHEMBL4011519 0.91 NR1H2 (0.57) NR1H2NR1H3RXRA
SCHEMBL4016587 0.91 NR1H2 (0.49) NR1H2NR1H3
SCHEMBL3507495 0.87 NR1H2 (0.55) NR1H2NR1H3RXRA
SCHEMBL27786938 0.87 NR1H2 (0.60) NR1H2NR1H3RXRA
SCHEMBL4013631 0.85 NR1H2 (0.46) NR1H2NR1H3
SCHEMBL4017110 0.84 NR1H2 (0.57) NR1H2NR1H3RXRA
SCHEMBL3509010 0.83 NR1H2 (0.51) NR1H2NR1H3RXRA
SCHEMBL4014419 0.82 NR1H2 (0.56) NR1H2NR1H3RXRA
SCHEMBL4011445 0.82 NR1H2 (0.59) NR1H2NR1H3RXRA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101541751-A Quinoline compounds WYETH CORP (US) 2009-09-23 CN claimed
EP-2074098-A2 QUINOLINE COMPOUNDS Wyeth (US) 2009-07-01 EP claimed
WO-2008049047-A2 QUINOLINE COMPOUNDS WYETH (US) 2008-04-24 WO claimed