SCHEMBL4017969

SCHEMBL4017969

CS(=O)(=O)c1cc(-c2cccc(-c3ccnc4c(C(F)(F)F)cccc34)c2)ccc1Br

nearest known ligand 0.79

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 19/20 0.79
NR1H3 Q13133 18/20 0.79
RXRA P19793 1/20 0.59
PPARG P37231 1/20 0.43

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
SCHEMBL4011381 0.90 NR1H2 (0.72) NR1H2NR1H3RXRAPPARG
SCHEMBL4018567 0.88 NR1H2 (1.00) NR1H2NR1H3RXRAPPARG
SCHEMBL4013215 0.88 NR1H2 (0.80) NR1H2NR1H3RXRA
SCHEMBL4011510 0.85 NR1H2 (0.76) NR1H2NR1H3RXRA
SCHEMBL4012178 0.85 NR1H2 (0.76) NR1H2NR1H3RXRAPPARG
SCHEMBL4018287 0.85 NR1H2 (0.60) NR1H2NR1H3RXRAPPARG
SCHEMBL4012032 0.84 NR1H2 (0.85) NR1H2NR1H3RXRA
SCHEMBL4012168 0.83 NR1H2 (1.00) NR1H2NR1H3RXRA
SCHEMBL4014874 0.82 NR1H2 (1.00) NR1H2NR1H3RXRAPPARG
SCHEMBL4014006 0.82 NR1H2 (0.92) NR1H2NR1H3RXRAPPARG

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