SCHEMBL4013511

SCHEMBL4013511

Cc1cc(-c2cccc(Oc3cc(F)cc(S(C)(=O)=O)c3)c2)c2cccc(C(F)(F)F)c2n1

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 20/20 0.67
NR1H3 Q13133 19/20 0.67
RXRA P19793 1/20 0.61

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
SCHEMBL4011954 0.91 NR1H2 (0.73) NR1H2NR1H3RXRA
SCHEMBL27786938 0.91 NR1H2 (0.60) NR1H2NR1H3RXRA
SCHEMBL4014419 0.88 NR1H2 (0.56) NR1H2NR1H3RXRA
SCHEMBL4013872 0.88 NR1H2 (0.59) NR1H2NR1H3RXRA
SCHEMBL4018710 0.86 NR1H2 (0.55) NR1H2NR1H3RXRA
SCHEMBL4011974 0.83 NR1H2 (0.66) NR1H2NR1H3RXRA
SCHEMBL4012015 0.83 NR1H2 (0.74) NR1H2NR1H3RXRA
SCHEMBL4012268 0.81 NR1H2 (0.58) NR1H2NR1H3RXRA
SCHEMBL4012266 0.80 NR1H3 (1.00) NR1H2NR1H3
SCHEMBL3509892 0.80 NR1H2 (0.71) 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 2 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